diff --git a/common/python/nomadcore/structure_types.py b/common/python/nomadcore/structure_types.py
new file mode 100644
index 0000000000000000000000000000000000000000..a7738898f2c4a702a3b29c9b326f120dd206bae4
--- /dev/null
+++ b/common/python/nomadcore/structure_types.py
@@ -0,0 +1,12832 @@
+# -*- coding: utf-8 -*-
+structure_types_by_spacegroup = {
+ 1: [{'Notes': '-',
+ 'Pearsons Symbol': 'aP16',
+ 'Prototype': 'AsKSe2',
+ 'Space Group': 'P1',
+ 'Space Group Number': 1,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'a16',
+ 'atom_labels': ['As',
+ 'As',
+ 'As',
+ 'As',
+ 'K',
+ 'K',
+ 'K',
+ 'K',
+ 'Se',
+ 'Se',
+ 'Se',
+ 'Se',
+ 'Se',
+ 'Se',
+ 'Sn',
+ 'Se'],
+ 'atom_positions': [[1.8168765e-10,
+ 8.613764600000001e-11,
+ 5.143248530000001e-10],
+ [2.3958645e-11, 4.11434442e-10, 5.30716954e-10],
+ [3.100544e-12, 8.15919014e-10, 9.3755559e-11],
+ [-1.1845383e-11, 1.167786943e-09, 1.0282868e-11],
+ [3.4894612e-11, 2.8718862e-10, 1.36762142e-10],
+ [3.87756673e-10,
+ 5.52519474e-10,
+ 2.5059953700000003e-10],
+ [1.0859912300000001e-10,
+ 8.20359369e-10,
+ 4.666002490000001e-10],
+ [2.41130122e-10,
+ 1.1678163310000001e-09,
+ 2.7394769600000003e-10],
+ [3.57174912e-10,
+ 2.2151187100000002e-10,
+ 1.38153353e-10],
+ [-1.0860413600000001e-10,
+ 1.109903372e-09,
+ 4.17968333e-10],
+ [6.2662942e-11, 5.32378594e-10, 3.39576588e-10],
+ [-2.9901111e-11,
+ 1.8797845900000003e-10,
+ 4.46397438e-10],
+ [2.2661147599999998e-10,
+ 8.40104779e-10,
+ 1.5025084500000001e-10],
+ [-2.1292494899999998e-10,
+ 4.49073326e-10,
+ 5.74146948e-10],
+ [0.0, 0.0, 0.0],
+ [-2.18214959e-10, 7.95516948e-10, 4.97690802e-10]],
+ 'lattice_vectors': [[6.558e-10, 0.0, 0.0],
+ [-2.2969358800000001e-10,
+ 1.2417345510000002e-09,
+ 0.0],
+ [-1.9740983800000002e-10,
+ -1.57179078e-10,
+ 6.04874577e-10]],
+ 'normalized_wyckoff': {'a': {'X_0': 7, 'X_1': 4, 'X_2': 4, 'X_3': 1}}},
+ {'Notes': '-',
+ 'Pearsons Symbol': 'aP12',
+ 'Prototype': 'FeS2',
+ 'Space Group': 'P1',
+ 'Space Group Number': 1,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'a12',
+ 'atom_labels': ['Fe',
+ 'Fe',
+ 'Fe',
+ 'Fe',
+ 'S',
+ 'S',
+ 'S',
+ 'S',
+ 'S',
+ 'S',
+ 'S',
+ 'S'],
+ 'atom_positions': [[-3.2501999999999996e-13,
+ 2.7155421e-10,
+ 2.7290845999999996e-10],
+ [5.417e-13, 1.0834e-12, 1.6250999999999998e-12],
+ [2.6900821999999996e-10, 5.417e-14, 2.7280012e-10],
+ [2.7090417e-10,
+ 2.7193339999999996e-10,
+ 5.9587e-13],
+ [6.213299e-11,
+ 4.7972952e-10,
+ 2.0806696999999998e-10],
+ [6.224133e-11,
+ 3.3119537999999995e-10,
+ 4.7918782e-10],
+ [2.0893369e-10,
+ 6.289136999999999e-11,
+ 4.7897114e-10],
+ [2.0893369e-10,
+ 2.0757944e-10,
+ 2.0801279999999998e-10],
+ [3.3319967000000003e-10,
+ 3.3217044e-10,
+ 3.3244129e-10],
+ [3.3330801000000004e-10,
+ 4.8021705e-10,
+ 6.180797e-11],
+ [4.796211799999999e-10,
+ 6.267469e-11,
+ 3.3276631e-10],
+ [4.796211799999999e-10,
+ 2.0682105999999998e-10,
+ 6.224133e-11]],
+ 'lattice_vectors': [[5.417e-10, 0.0, 0.0],
+ [0.0, 5.417e-10, 0.0],
+ [0.0, 0.0, 5.417e-10]]}],
+ 2: [{'Notes': '-',
+ 'Pearsons Symbol': 'aP4',
+ 'Prototype': 'Cf',
+ 'Space Group': 'P1',
+ 'Space Group Number': 2,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'aci',
+ 'atom_labels': ['Cf', 'Cf', 'Cf', 'Cf'],
+ 'atom_positions': [[0.0, 0.0, 0.0],
+ [2.7787000000000002e-11,
+ 3.6955700000000004e-10,
+ 0.0],
+ [2.1377892799999999e-10,
+ 1.9265115300000001e-10,
+ 1.20497838e-10],
+ [-2.1377892799999999e-10,
+ -1.9265115300000001e-10,
+ -1.20497838e-10]],
+ 'lattice_vectors': [[3.307e-10, 0.0, 0.0],
+ [5.5574000000000004e-11,
+ 7.391140000000001e-10,
+ 0.0],
+ [2.3614e-11, 2.819e-12, 2.78286e-10]]},
+ {'Notes': '-',
+ 'Pearsons Symbol': 'aP6',
+ 'Prototype': 'I2P4',
+ 'Space Group': 'P1',
+ 'Space Group Number': 2,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'i3',
+ 'atom_labels': ['P', 'P', 'I', 'I', 'I', 'I'],
+ 'atom_positions': [[1.6705481000000002e-11,
+ 4.91033677e-10,
+ 3.2467029e-10],
+ [-1.6705481000000002e-11,
+ -4.91033677e-10,
+ -3.2467029e-10],
+ [1.44853252e-10, 5.2597367e-10, 1.15703235e-10],
+ [-1.44853252e-10, -5.2597367e-10, -1.15703235e-10],
+ [1.4298048200000001e-10,
+ 6.27937981e-10,
+ 4.87356051e-10],
+ [-1.4298048200000001e-10,
+ -6.27937981e-10,
+ -4.87356051e-10]],
+ 'lattice_vectors': [[4.56e-10, 0.0, 0.0],
+ [-1.00696027e-10, 6.98782019e-10, 0.0],
+ [-2.15943322e-10, 9.6138158e-11, 7.01231728e-10]],
+ 'normalized_wyckoff': {'i': {'X_0': 2, 'X_1': 1}}}],
+ 3: [{'Notes': 'found in atomistic simulations',
+ 'Pearsons Symbol': 'mP12',
+ 'Prototype': 'O2Si',
+ 'Space Group': 'P2',
+ 'Space Group Number': 3,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'bce5',
+ 'atom_labels': ['O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si'],
+ 'atom_positions': [[-7.3184298e-11, 6.56863658e-11, 3.63766232e-10],
+ [2.08025e-10, 3.04993355e-10, 0.0],
+ [-1.77221447e-11, 3.1053088e-10, 1.37700069e-10],
+ [1.77221447e-11, 3.1053088e-10, -1.37700069e-10],
+ [6.66529868e-11, 2.95140606e-10, 4.66159151e-10],
+ [-6.66529868e-11, 2.95140606e-10, -4.66159151e-10],
+ [1.76190338e-10, 8.33973624e-11, 1.36790654e-10],
+ [-1.76190338e-10, 8.33973624e-11, -1.36790654e-10],
+ [-2.60430288e-11, 0.0, 5.06733637e-10],
+ [2.60430288e-11, 0.0, -5.06733637e-10],
+ [1.3245751e-10, 2.41834182e-10, 1.29478953e-10],
+ [-1.32472147e-10, 2.41834182e-10, -1.29406199e-10]],
+ 'lattice_vectors': [[4.1605e-10, 0.0, 0.0],
+ [0.0, 4.1294e-10, 0.0],
+ [-1.46368596e-10, 0.0, 7.27532464e-10]],
+ 'normalized_wyckoff': {'b': {'X_0': 1},
+ 'c': {'X_0': 1},
+ 'e': {'X_0': 6, 'X_1': 4}}}],
+ 4: [{'Notes': 'high-pressure Te',
+ 'Pearsons Symbol': 'mP4',
+ 'Prototype': 'Te',
+ 'Space Group': 'P21',
+ 'Space Group Number': 4,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'a2',
+ 'atom_labels': ['Te', 'Te', 'Te', 'Te'],
+ 'atom_positions': [[6.6797285e-11,
+ 1.72799e-10,
+ 2.2822447700000003e-10],
+ [-6.6797285e-11,
+ 5.48449e-10,
+ -2.2822447700000003e-10],
+ [1.48541887e-10, 0.0, 9.509353e-12],
+ [-1.48541887e-10, 3.7565e-10, -9.509353e-12]],
+ 'lattice_vectors': [[3.1040000000000003e-10, 0.0, 0.0],
+ [0.0, 7.513e-10, 0.0],
+ [-2.2505655999999998e-11, 0.0, 4.7546766e-10]],
+ 'normalized_wyckoff': {'a': {'X_0': 1}}}],
+ 9: [{'Notes': 'monoclinic low tridymite',
+ 'Pearsons Symbol': 'mC144',
+ 'Prototype': 'O2Si',
+ 'Space Group': 'Cc',
+ 'Space Group Number': 9,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'a36',
+ 'atom_labels': ['O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'O',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si',
+ 'Si'],
+ 'atom_positions': [[5.338519966554e-10,
+ 1.7561231999999997e-10,
+ 1.8743445089927996e-09],
+ [8.584014731554e-10,
+ -1.7561231999999997e-10,
+ 7.289372069927999e-10],
+ [8.315378839372001e-10,
+ 8.005119999999999e-11,
+ 7.962871563503999e-10],
+ [5.069884074372002e-10,
+ -8.005119999999999e-11,
+ 1.9416944583503998e-09],
+ [1.0401526978997e-09,
+ 6.904416e-11,
+ 1.1112741644004e-09],
+ [7.156032213997001e-10,
+ -6.904416e-11,
+ 2.2566814664003997e-09],
+ [1.3035137941440003e-10,
+ 7.204607999999999e-11,
+ 1.1802276839807998e-09],
+ [4.549008559144e-10,
+ -7.204607999999999e-11,
+ 3.48203819808e-11],
+ [3.321145957827001e-10,
+ 1.7611264e-10,
+ 1.5442381245564e-09],
+ [6.566640722827e-10,
+ -1.7611264e-10,
+ 3.988308225564e-10],
+ [6.714046901398e-10,
+ 7.404736e-11,
+ 3.285028142136e-10],
+ [3.4685521363980014e-10,
+ -7.404736e-11,
+ 1.4739101162135998e-09],
+ [4.2544513110110006e-10,
+ 1.6810752e-10,
+ 9.651201926652e-10],
+ [1.0089565460110013e-10,
+ -1.6810752e-10,
+ 2.1105274946651997e-09],
+ [1.629768700967001e-10,
+ 8.405375999999998e-11,
+ 2.1444315508044e-09],
+ [4.875263465967e-10,
+ -8.405375999999998e-11,
+ 9.990242488043998e-10],
+ [9.446520492286e-10,
+ 7.254639999999996e-11,
+ 1.7268160484951999e-09],
+ [1.2692015257286e-09,
+ -7.254639999999996e-11,
+ 5.814087464951999e-10],
+ [-4.77424050105999e-11,
+ 7.154576e-11,
+ 1.6956609698807996e-09],
+ [2.7680707148940003e-10,
+ -7.154576e-11,
+ 5.502536678808e-10],
+ [7.680336421808999e-10,
+ 1.7060912e-10,
+ 1.3394392989588001e-09],
+ [1.0925831186808998e-09,
+ -1.7060912e-10,
+ 1.9403199695879998e-10],
+ [1.0335241992067e-09,
+ 7.855024000000001e-11,
+ 1.5142284532439998e-10],
+ [7.089747227067e-10,
+ -7.855024000000001e-11,
+ 1.2968301473244e-09],
+ [-7.523246880859999e-11,
+ -5.50352e-12,
+ 2.4328451094479995e-10],
+ [-3.997819453086e-10,
+ 5.50352e-12,
+ 1.3886918129448e-09],
+ [1.5374878396255001e-09,
+ 5.5035200000000226e-12,
+ 1.5233917116599998e-10],
+ [1.2129383631255002e-09,
+ -5.5035200000000226e-12,
+ 1.2977464731659999e-09],
+ [7.680792126417002e-10,
+ 2.5016000000000103e-12,
+ 1.5373656807444e-09],
+ [1.0926286891417002e-09,
+ -2.5016000000000103e-12,
+ 3.919583787444e-10],
+ [1.0264335036835002e-09,
+ 2.0012799999999824e-12,
+ 6.425734964219999e-10],
+ [7.018840271835002e-10,
+ -2.0012799999999824e-12,
+ 1.787980798422e-09],
+ [5.224224037416e-10,
+ 5.003200000000021e-13,
+ 5.333016398111999e-10],
+ [1.9787292724160007e-10,
+ -5.003200000000021e-13,
+ 1.6787089418112e-09],
+ [8.169748246510015e-11,
+ 1.5009600000000062e-12,
+ 1.9089358095131996e-09],
+ [4.062469589651001e-10,
+ -1.5009600000000062e-12,
+ 7.635285075132e-10],
+ [7.801785510706e-10,
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+ [4.556290745706e-10,
+ -3.5022399999999885e-12,
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+ [-3.4799134964039995e-10,
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+ [-2.3441873140400016e-11,
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+ [3.370565284796001e-10,
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+ [6.616060049796001e-10,
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+ [6.016505235e-10,
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+ 1.145407302e-09],
+ [9.262000000000001e-10,
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+ 0.0],
+ [1.2850713940205999e-09,
+ 4.5028800000000185e-12,
+ 2.0571515143919996e-10],
+ [9.605219175206e-10,
+ -4.5028800000000185e-12,
+ 1.3511224534391998e-09],
+ [-8.595153147149991e-11,
+ 1.0506720000000004e-11,
+ 2.0972407699619997e-09],
+ [2.385979450285e-10,
+ -1.0506720000000004e-11,
+ 9.51833467962e-10],
+ [-2.723049492825999e-10,
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+ 1.2924775995767998e-09],
+ [5.2244527217400023e-11,
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+ [2.2485651978260008e-10,
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+ [5.494059962826001e-10,
+ -2.3314912e-10,
+ 9.983370044232e-10],
+ [-2.0778098435649993e-10,
+ 2.9518880000000005e-11,
+ 2.2003274271419995e-09],
+ [1.167684921435e-10,
+ -2.9518880000000005e-11,
+ 1.054920125142e-09],
+ [-4.357336289006e-10,
+ 2.451568e-11,
+ 1.9934668684007998e-09],
+ [-1.1118415240059994e-10,
+ -2.451568e-11,
+ 8.480595664007999e-10],
+ [1.1510051157309003e-09,
+ 2.6516960000000005e-11,
+ 5.376541875588e-10],
+ [8.264556392309003e-10,
+ -2.6516960000000005e-11,
+ 1.6830614895588e-09],
+ [1.2997734217575002e-09,
+ 2.4515680000000023e-11,
+ 1.42603209099e-09],
+ [1.6243228982575001e-09,
+ -2.4515680000000023e-11,
+ 2.8062478898999996e-10],
+ [5.489570228885001e-10,
+ 2.151376000000001e-11,
+ 1.822343017482e-09],
+ [8.735064993885002e-10,
+ -2.151376000000001e-11,
+ 6.769357154819999e-10],
+ [3.3422739986370006e-10,
+ 2.401536000000002e-11,
+ 1.5969268604483998e-09],
+ [6.587768763637e-10,
+ -2.401536000000002e-11,
+ 4.5151955844839995e-10],
+ [1.3907341004142e-09,
+ 2.8017919999999986e-11,
+ 8.84254437144e-11],
+ [1.0661846239142e-09,
+ -2.8017919999999986e-11,
+ 1.2338327457144e-09],
+ [3.8725528860670005e-10,
+ 2.551632e-11,
+ 6.095857661244e-10],
+ [6.270581210670012e-11,
+ -2.551632e-11,
+ 1.7549930681243998e-09],
+ [8.041417810269e-10,
+ 2.051311999999998e-11,
+ 1.3806739618307999e-09],
+ [1.1286912575269e-09,
+ -2.051311999999998e-11,
+ 2.352666598308e-10],
+ [3.934043004752e-10,
+ 1.851184000000001e-11,
+ 9.199911449663999e-10],
+ [6.885482397520006e-11,
+ -1.851184000000001e-11,
+ 2.0653984469663997e-09]],
+ 'lattice_vectors': [[9.262e-10, -2.5016e-10, 0.0],
+ [9.262e-10, 2.5016e-10, 0.0],
+ [-6.49098953e-10, 0.0, 2.290814604e-09]],
+ 'normalized_wyckoff': {'a': {'X_0': 2, 'X_1': 1}}}],
+ 11: [{'Notes': '-',
+ 'Pearsons Symbol': 'mP10',
+ 'Prototype': 'KClO3',
+ 'Space Group': 'P21/m',
+ 'Space Group Number': 11,
+ 'Strukturbericht Designation': 'G06',
+ 'Wyckoff Positions': 'e3f',
+ 'atom_labels': ['K', 'K', 'Cl', 'Cl', 'O', 'O', 'O', 'O', 'O', 'O'],
+ 'atom_positions': [[2.38687732e-10, 1.395e-10, -1.99429273e-10],
+ [-2.38687732e-10, -1.395e-10, 1.99429273e-10],
+ [8.743889000000001e-12,
+ 1.395e-10,
+ 1.17114506e-10],
+ [-8.743889000000001e-12,
+ -1.395e-10,
+ -1.17114506e-10],
+ [1.62269415e-10, 1.395e-10, 7.4284058e-11],
+ [-1.62269415e-10, -1.395e-10, -7.4284058e-11],
+ [2.53995e-13, 1.5624e-11, 1.86044759e-10],
+ [-2.53995e-13, -1.5624e-11, -1.86044759e-10],
+ [-2.53995e-13, 2.94624e-10, -1.86044759e-10],
+ [2.53995e-13, -2.94624e-10, 1.86044759e-10]],
+ 'lattice_vectors': [[4.64e-10, 0.0, 0.0],
+ [0.0, 5.58e-10, 0.0],
+ [-2.3108635e-10, 0.0, 6.692257500000001e-10]],
+ 'normalized_wyckoff': {'e': {'X_0': 1, 'X_1': 1, 'X_2': 1},
+ 'f': {'X_0': 2}}},
+ {'Notes': '-',
+ 'Pearsons Symbol': 'mP4',
+ 'Prototype': 'NiTi',
+ 'Space Group': 'P21/m',
+ 'Space Group Number': 11,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'e2',
+ 'atom_labels': ['Ni', 'Ni', 'Ti', 'Ti'],
+ 'atom_positions': [[2.24038147e-10,
+ 1.0275000000000001e-10,
+ 3.8333221000000003e-10],
+ [-2.24038147e-10,
+ 3.0825e-10,
+ -3.8333221000000003e-10],
+ [1.44242377e-10,
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+ {'Notes': '-',
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+ {'Notes': 'marcasite',
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+ 'Strukturbericht Designation': 'C18',
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+ 59: [{'Notes': 'cyanogen chloride',
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+ 'Strukturbericht Designation': '-',
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+ [2.270991e-10, 2.270991e-10, 5.56354e-10]],
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+ {'Notes': '-',
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+ 'Prototype': 'Al3Ti',
+ 'Space Group': 'I4/mmm',
+ 'Space Group Number': 139,
+ 'Strukturbericht Designation': 'D022',
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+ 'atom_labels': ['Ti', 'Al', 'Al', 'Al'],
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+ [1.924e-10, 1.924e-10, 0.0],
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+ {'Notes': '-',
+ 'Pearsons Symbol': 'tI16',
+ 'Prototype': 'Al3Zr',
+ 'Space Group': 'I4/mmm',
+ 'Space Group Number': 139,
+ 'Strukturbericht Designation': 'D023',
+ 'Wyckoff Positions': 'cde2',
+ 'atom_labels': ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Zr', 'Zr'],
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+ {'Notes': '-',
+ 'Pearsons Symbol': 'tI14',
+ 'Prototype': '(Ba,La)2CuO4',
+ 'Space Group': 'I4/mmm',
+ 'Space Group Number': 139,
+ 'Strukturbericht Designation': '-',
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+ 'atom_labels': ['Cu', 'La', 'La', 'O', 'O', 'O', 'O'],
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+ {'Notes': '4-member ring',
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': "L'2",
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+ {'Notes': 'fct',
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+ 'Prototype': 'In',
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+ 'Strukturbericht Designation': 'A6',
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+ 'Prototype': 'Mn12Th',
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+ 'Strukturbericht Designation': 'D2b',
+ 'Wyckoff Positions': 'afij',
+ 'atom_labels': ['Mn',
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+ 'Mn',
+ 'Mn',
+ 'Mn',
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+ 'Mn',
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+ {'Notes': '-',
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+ 'Prototype': 'MoSi2',
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+ 'Strukturbericht Designation': 'C11b',
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+ {'Notes': '-',
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+ 'Prototype': 'NbNi8',
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+ 'Strukturbericht Designation': '-',
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+ 'atom_labels': ['Nb',
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+ {'Notes': 'bct',
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+ 'Strukturbericht Designation': 'Aa',
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+ {'Notes': 'bct5',
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+ 'Strukturbericht Designation': '-',
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+ {'Notes': '-',
+ 'Pearsons Symbol': 'tI18',
+ 'Prototype': 'V4Zn5',
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+ 'Strukturbericht Designation': '-',
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+ 'atom_labels': ['Zn', 'Zn', 'Zn', 'Zn', 'Zn', 'V', 'V', 'V', 'V'],
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+ 'atom_labels': ['Al', 'Al', 'Al', 'Al', 'Cu', 'Cu'],
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+ 'Prototype': 'Ir3Si',
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+ 'Strukturbericht Designation': "D0'c",
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+ 'atom_labels': ['Si', 'Si', 'Ir', 'Ir', 'Ir', 'Ir', 'Ir', 'Ir'],
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+ {'Notes': 'AlKTe2',
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+ 'Strukturbericht Designation': 'B37',
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+ 'Prototype': 'Ga2Hf',
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+ 'Strukturbericht Designation': '-',
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+ 'atom_labels': ['Ga',
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+ [2.023e-10, 2.023e-10, -1.2723e-09]]},
+ {'Notes': 'ordered defect spinel',
+ 'Pearsons Symbol': 'tI80',
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+ 'Strukturbericht Designation': '-',
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+ 'Strukturbericht Designation': 'F510',
+ 'Wyckoff Positions': 'bfhi2',
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+ {'Notes': 'high quartz',
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': '-',
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+ 'Strukturbericht Designation': 'B35',
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': 'Ch',
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+ 'atom_labels': ['Te', 'Te', 'Cu', 'Cu', 'Cu', 'Cu'],
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+ {'Notes': 'simple hexagonal',
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+ 'Prototype': 'HgSn6-10 (gamma)',
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+ 'Strukturbericht Designation': 'Af',
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+ {'Notes': '-',
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+ 'Space Group Number': 191,
+ 'Strukturbericht Designation': '-',
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+ 'atom_labels': ['N', 'Li', 'Li', 'Li'],
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+ {'Notes': 'MAX phase',
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+ {'Notes': '-',
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+ {'Notes': 'graphite',
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+ {'Notes': 'lonsdaleite',
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+ 'Strukturbericht Designation': '-',
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+ {'Notes': '-',
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+ {'Notes': '-',
+ 'Pearsons Symbol': 'hP4',
+ 'Prototype': 'La (alpha)',
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+ 'Space Group Number': 194,
+ 'Strukturbericht Designation': "A3'",
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+ 'atom_labels': ['La', 'La', 'La', 'La'],
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+ {'Notes': 'hcp',
+ 'Pearsons Symbol': 'hP2',
+ 'Prototype': 'Mg',
+ 'Space Group': 'P63/mmc',
+ 'Space Group Number': 194,
+ 'Strukturbericht Designation': 'A3',
+ 'Wyckoff Positions': 'c',
+ 'atom_labels': ['Mg', 'Mg'],
+ 'atom_positions': [[1.6050000000000001e-10,
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+ {'Notes': 'high-pressure cI16 phase',
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+ 'Strukturbericht Designation': '-',
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+ 'atom_labels': ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li'],
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+ 'Strukturbericht Designation': 'L12',
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': 'D21',
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': 'D2e',
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+ {'Notes': 'cubic perovskite',
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+ 'Strukturbericht Designation': 'E21',
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+ 'atom_labels': ['Ca', 'O', 'O', 'O', 'Ti'],
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': 'B2',
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+ 'Prototype': 'CrFe8MoNi6',
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+ 'Strukturbericht Designation': '-',
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+ {'Notes': 'hypothetical austenite structure',
+ 'Pearsons Symbol': 'cP32',
+ 'Prototype': 'CrFe25Ni6',
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+ 'Strukturbericht Designation': '-',
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': '-',
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+ 'atom_labels': ['Nb', 'Nb', 'Nb', 'O', 'O', 'O'],
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': 'D09',
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+ {'Notes': 'simple cubic',
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+ 'Prototype': 'Po (alpha)',
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+ 'Strukturbericht Designation': 'Ah',
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+ 'Strukturbericht Designation': 'A15',
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+ {'Notes': 'fluorite',
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+ 'Strukturbericht Designation': 'C1',
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+ 'atom_labels': ['Ca', 'F', 'F'],
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+ {'Notes': '-',
+ 'Pearsons Symbol': 'cF32',
+ 'Prototype': 'Ca7Ge',
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+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'abd',
+ 'atom_labels': ['Ge', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca'],
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+ {'Notes': 'rock salt',
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+ 'Prototype': 'ClNa',
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+ 'Strukturbericht Designation': 'B1',
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+ 'atom_labels': ['Na', 'Cl'],
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+ {'Notes': 'hypothetical austenite structure',
+ 'Pearsons Symbol': 'cF108',
+ 'Prototype': 'CrFe18Ni8',
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+ 'Strukturbericht Designation': '-',
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+ {'Notes': 'hypothetical ferrite structure',
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+ 'Strukturbericht Designation': '-',
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+ {'Notes': 'fcc',
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+ 'Strukturbericht Designation': 'A1',
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+ {'Notes': 'diamond',
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+ 'Prototype': 'C',
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+ 'Strukturbericht Designation': 'A4',
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+ 'Strukturbericht Designation': 'E93',
+ 'Wyckoff Positions': 'cdef',
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+ 'C',
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+ 'Fe',
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+ 'Strukturbericht Designation': 'C15',
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+ 229: [{'Notes': 'hypothetical ferrite structure',
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+ {'Notes': 'hypothetical austenite structure',
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+ {'Notes': 'hypothetical ferrite structure',
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+ {'Notes': '-',
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+ 'Strukturbericht Designation': '-',
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+ {'Notes': '-',
+ 'Pearsons Symbol': 'cI14',
+ 'Prototype': 'O4Pt3',
+ 'Space Group': 'Im3m',
+ 'Space Group Number': 229,
+ 'Strukturbericht Designation': '-',
+ 'Wyckoff Positions': 'bc',
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+ {'Notes': 'see CrFe20Ni6',
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+ 'Strukturbericht Designation': 'L22',
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+ {'Notes': 'bcc',
+ 'Pearsons Symbol': 'cI2',
+ 'Prototype': 'W',
+ 'Space Group': 'Im3m',
+ 'Space Group Number': 229,
+ 'Strukturbericht Designation': 'A2',
+ 'Wyckoff Positions': 'a',
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+ 230: [{'Notes': '-',
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+ 'Prototype': 'Ga4Ni3',
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+ 'Strukturbericht Designation': '-',
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