# generated using pymatgen
data_Zr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63968205
_cell_length_b   9.63630887
_cell_length_c   49.45555504
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Cu
_chemical_formula_sum   'Zr72 Cu24'
_cell_volume   4501.1565533
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr1  1  0.809006  0.059210  0.298799  1
  Zr  Zr2  1  0.301202  0.553078  0.299812  1
  Zr  Zr3  1  0.225306  0.970506  0.333335  1
  Zr  Zr4  1  0.723439  0.471330  0.333040  1
  Zr  Zr5  1  0.058564  0.809557  0.298804  1
  Zr  Zr6  1  0.552438  0.301743  0.299813  1
  Zr  Zr7  1  0.470793  0.723974  0.333046  1
  Zr  Zr8  1  0.969974  0.225842  0.333339  1
  Zr  Zr9  1  0.769861  0.770423  0.315893  1
  Zr  Zr10  1  0.262001  0.262548  0.314160  1
  Zr  Zr11  1  0.179544  0.680978  0.352717  1
  Zr  Zr12  1  0.680443  0.180076  0.352714  1
  Zr  Zr13  1  0.637830  0.887014  0.369795  1
  Zr  Zr14  1  0.139109  0.387551  0.369392  1
  Zr  Zr15  1  0.053731  0.804667  0.406256  1
  Zr  Zr16  1  0.553794  0.304735  0.406045  1
  Zr  Zr17  1  0.886480  0.638354  0.369792  1
  Zr  Zr18  1  0.387022  0.139628  0.369389  1
  Zr  Zr19  1  0.304208  0.554327  0.406046  1
  Zr  Zr20  1  0.804134  0.054267  0.406255  1
  Zr  Zr21  1  0.595386  0.595899  0.387176  1
  Zr  Zr22  1  0.096388  0.096904  0.387527  1
  Zr  Zr23  1  0.012627  0.512308  0.423399  1
  Zr  Zr24  1  0.511777  0.013158  0.423399  1
  Zr  Zr25  1  0.471326  0.721121  0.441391  1
  Zr  Zr26  1  0.971090  0.221116  0.441461  1
  Zr  Zr27  1  0.887770  0.637807  0.477241  1
  Zr  Zr28  1  0.387596  0.138074  0.477266  1
  Zr  Zr29  1  0.720594  0.471849  0.441391  1
  Zr  Zr30  1  0.220590  0.971613  0.441462  1
  Zr  Zr31  1  0.137549  0.388122  0.477265  1
  Zr  Zr32  1  0.637281  0.888297  0.477241  1
  Zr  Zr33  1  0.429423  0.429950  0.459769  1
  Zr  Zr34  1  0.929277  0.929810  0.459922  1
  Zr  Zr35  1  0.845890  0.345971  0.495029  1
  Zr  Zr36  1  0.345450  0.846410  0.495030  1
  Zr  Zr37  1  0.303670  0.554633  0.513394  1
  Zr  Zr38  1  0.803493  0.055120  0.513460  1
  Zr  Zr39  1  0.721315  0.471009  0.548522  1
  Zr  Zr40  1  0.220780  0.971527  0.548872  1
  Zr  Zr41  1  0.554106  0.304196  0.513394  1
  Zr  Zr42  1  0.054593  0.804019  0.513460  1
  Zr  Zr43  1  0.971006  0.221302  0.548873  1
  Zr  Zr44  1  0.470490  0.721834  0.548524  1
  Zr  Zr45  1  0.262280  0.262807  0.530984  1
  Zr  Zr46  1  0.762484  0.763010  0.530866  1
  Zr  Zr47  1  0.678832  0.180864  0.567595  1
  Zr  Zr48  1  0.180338  0.679361  0.567594  1
  Zr  Zr49  1  0.137925  0.387934  0.584834  1
  Zr  Zr50  1  0.637367  0.888256  0.584485  1
  Zr  Zr51  1  0.550808  0.305306  0.621968  1
  Zr  Zr52  1  0.052224  0.805158  0.621174  1
  Zr  Zr53  1  0.387412  0.138444  0.584833  1
  Zr  Zr54  1  0.887740  0.637884  0.584484  1
  Zr  Zr55  1  0.804617  0.052778  0.621177  1
  Zr  Zr56  1  0.304759  0.551371  0.621971  1
  Zr  Zr57  1  0.095530  0.096044  0.602804  1
  Zr  Zr58  1  0.594447  0.594938  0.601552  1
  Zr  Zr59  1  0.510028  0.010991  0.638509  1
  Zr  Zr60  1  0.010447  0.510548  0.638510  1
  Zr  Zr61  1  0.966942  0.220889  0.656386  1
  Zr  Zr62  1  0.472112  0.718933  0.655013  1
  Zr  Zr63  1  0.384324  0.130745  0.692217  1
  Zr  Zr64  1  0.882505  0.632377  0.692188  1
  Zr  Zr65  1  0.220412  0.967405  0.656387  1
  Zr  Zr66  1  0.718434  0.472557  0.655025  1
  Zr  Zr67  1  0.631914  0.883005  0.692185  1
  Zr  Zr68  1  0.130302  0.384838  0.692220  1
  Zr  Zr69  1  0.926122  0.926675  0.677193  1
  Zr  Zr70  1  0.430443  0.431080  0.679804  1
  Zr  Zr71  1  0.332622  0.796363  0.707103  1
  Zr  Zr72  1  0.796164  0.332987  0.707119  1
  Cu  Cu73  1  0.090914  0.091452  0.286452  1
  Cu  Cu74  1  0.429592  0.430123  0.351889  1
  Cu  Cu75  1  0.519820  0.017998  0.319224  1
  Cu  Cu76  1  0.017505  0.520335  0.319226  1
  Cu  Cu77  1  0.931125  0.931654  0.352135  1
  Cu  Cu78  1  0.262608  0.263134  0.423725  1
  Cu  Cu79  1  0.346203  0.846127  0.387826  1
  Cu  Cu80  1  0.845596  0.346731  0.387826  1
  Cu  Cu81  1  0.762570  0.763097  0.423615  1
  Cu  Cu82  1  0.095809  0.096333  0.495238  1
  Cu  Cu83  1  0.179276  0.679660  0.459462  1
  Cu  Cu84  1  0.679132  0.179804  0.459462  1
  Cu  Cu85  1  0.595764  0.596289  0.495277  1
  Cu  Cu86  1  0.929134  0.929654  0.566758  1
  Cu  Cu87  1  0.012554  0.512824  0.531037  1
  Cu  Cu88  1  0.512299  0.013080  0.531037  1
  Cu  Cu89  1  0.428569  0.429096  0.566951  1
  Cu  Cu90  1  0.762346  0.762869  0.638293  1
  Cu  Cu91  1  0.846120  0.346118  0.602282  1
  Cu  Cu92  1  0.345607  0.846637  0.602281  1
  Cu  Cu93  1  0.261956  0.262491  0.639030  1
  Cu  Cu94  1  0.599956  0.600380  0.705711  1
  Cu  Cu95  1  0.673027  0.171396  0.671749  1
  Cu  Cu96  1  0.170809  0.673580  0.671746  1
