# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54681284
_cell_length_b   12.39537434
_cell_length_c   48.00491030
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.58754105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr80 Cu40'
_cell_volume   5244.97736404
_cell_formula_units_Z   40
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  0.370968  0.277917  0.307563  1
  Zr  Zr2  1  0.864963  0.265686  0.306544  1
  Zr  Zr3  1  0.512627  0.092865  0.294032  1
  Zr  Zr4  1  0.044390  0.092705  0.294035  1
  Zr  Zr5  1  0.113654  0.763139  0.307888  1
  Zr  Zr6  1  0.617129  0.770281  0.306695  1
  Zr  Zr7  1  0.783726  0.604911  0.294091  1
  Zr  Zr8  1  0.285496  0.604885  0.294082  1
  Zr  Zr9  1  0.073643  0.182433  0.353152  1
  Zr  Zr10  1  0.572989  0.182419  0.353152  1
  Zr  Zr11  1  0.237761  0.011530  0.335422  1
  Zr  Zr12  1  0.739090  0.014081  0.336650  1
  Zr  Zr13  1  0.822334  0.680830  0.354151  1
  Zr  Zr14  1  0.322653  0.680845  0.354144  1
  Zr  Zr15  1  0.489539  0.514980  0.337386  1
  Zr  Zr16  1  0.987711  0.511479  0.337342  1
  Zr  Zr17  1  0.779095  0.093945  0.399384  1
  Zr  Zr18  1  0.278893  0.093583  0.399148  1
  Zr  Zr19  1  0.946626  0.927626  0.378590  1
  Zr  Zr20  1  0.444973  0.927631  0.378593  1
  Zr  Zr21  1  0.529246  0.594271  0.399936  1
  Zr  Zr22  1  0.029429  0.594628  0.399820  1
  Zr  Zr23  1  0.195198  0.426452  0.379032  1
  Zr  Zr24  1  0.695221  0.426443  0.379029  1
  Zr  Zr25  1  0.485681  0.007298  0.444523  1
  Zr  Zr26  1  0.985879  0.007296  0.444524  1
  Zr  Zr27  1  0.653606  0.843147  0.425250  1
  Zr  Zr28  1  0.153422  0.842783  0.425446  1
  Zr  Zr29  1  0.235931  0.507802  0.444692  1
  Zr  Zr30  1  0.736158  0.507808  0.444692  1
  Zr  Zr31  1  0.903118  0.342190  0.425206  1
  Zr  Zr32  1  0.403085  0.342095  0.425307  1
  Zr  Zr33  1  0.192862  0.921381  0.490064  1
  Zr  Zr34  1  0.692835  0.921337  0.490062  1
  Zr  Zr35  1  0.359801  0.755192  0.471948  1
  Zr  Zr36  1  0.859547  0.755191  0.471949  1
  Zr  Zr37  1  0.942812  0.421271  0.490227  1
  Zr  Zr38  1  0.442851  0.421345  0.490175  1
  Zr  Zr39  1  0.609717  0.255011  0.471752  1
  Zr  Zr40  1  0.109441  0.255012  0.471753  1
  Zr  Zr41  1  0.899361  0.834001  0.535915  1
  Zr  Zr42  1  0.399057  0.834003  0.535917  1
  Zr  Zr43  1  0.066118  0.667988  0.517900  1
  Zr  Zr44  1  0.566074  0.667914  0.517979  1
  Zr  Zr45  1  0.649146  0.334200  0.536122  1
  Zr  Zr46  1  0.149484  0.334202  0.536121  1
  Zr  Zr47  1  0.316026  0.167831  0.517814  1
  Zr  Zr48  1  0.816002  0.167785  0.517821  1
  Zr  Zr49  1  0.605241  0.745991  0.582414  1
  Zr  Zr50  1  0.105285  0.746051  0.582489  1
  Zr  Zr51  1  0.773343  0.581818  0.563664  1
  Zr  Zr52  1  0.272790  0.581805  0.563664  1
  Zr  Zr53  1  0.355724  0.246947  0.582594  1
  Zr  Zr54  1  0.855995  0.247461  0.582384  1
  Zr  Zr55  1  0.022501  0.080890  0.563448  1
  Zr  Zr56  1  0.522682  0.080894  0.563448  1
  Zr  Zr57  1  0.312264  0.660642  0.629774  1
  Zr  Zr58  1  0.812973  0.660631  0.629775  1
  Zr  Zr59  1  0.480262  0.496143  0.608932  1
  Zr  Zr60  1  0.980104  0.495850  0.609220  1
  Zr  Zr61  1  0.062543  0.161927  0.628872  1
  Zr  Zr62  1  0.563985  0.161918  0.628864  1
  Zr  Zr63  1  0.729516  0.994678  0.608477  1
  Zr  Zr64  1  0.229175  0.994001  0.608256  1
  Zr  Zr65  1  0.021843  0.579051  0.674316  1
  Zr  Zr66  1  0.519763  0.575019  0.673362  1
  Zr  Zr67  1  0.185278  0.406950  0.654492  1
  Zr  Zr68  1  0.686056  0.406912  0.654496  1
  Zr  Zr69  1  0.770939  0.077182  0.672242  1
  Zr  Zr70  1  0.269872  0.075347  0.670773  1
  Zr  Zr71  1  0.437034  0.908399  0.653797  1
  Zr  Zr72  1  0.935786  0.908408  0.653784  1
  Zr  Zr73  1  0.723340  0.492829  0.713637  1
  Zr  Zr74  1  0.233719  0.492500  0.713642  1
  Zr  Zr75  1  0.892806  0.321374  0.699651  1
  Zr  Zr76  1  0.388718  0.312669  0.700741  1
  Zr  Zr77  1  0.489922  0.990274  0.713738  1
  Zr  Zr78  1  0.964553  0.990413  0.713713  1
  Zr  Zr79  1  0.148247  0.832007  0.700155  1
  Zr  Zr80  1  0.641286  0.818077  0.699297  1
  Cu  Cu81  1  0.989773  0.515033  0.282452  1
  Cu  Cu82  1  0.489608  0.514570  0.282050  1
  Cu  Cu83  1  0.919547  0.879061  0.318871  1
  Cu  Cu84  1  0.741878  0.019363  0.282768  1
  Cu  Cu85  1  0.677725  0.387270  0.318631  1
  Cu  Cu86  1  0.173503  0.387391  0.318646  1
  Cu  Cu87  1  0.632084  0.800127  0.366140  1
  Cu  Cu88  1  0.423494  0.879194  0.318883  1
  Cu  Cu89  1  0.381755  0.299437  0.366536  1
  Cu  Cu90  1  0.881037  0.297994  0.366102  1
  Cu  Cu91  1  0.342724  0.720850  0.412873  1
  Cu  Cu92  1  0.132328  0.800624  0.366334  1
  Cu  Cu93  1  0.091644  0.218810  0.412393  1
  Cu  Cu94  1  0.591297  0.218793  0.412390  1
  Cu  Cu95  1  0.048910  0.633592  0.458479  1
  Cu  Cu96  1  0.842286  0.720860  0.412874  1
  Cu  Cu97  1  0.798555  0.132902  0.458168  1
  Cu  Cu98  1  0.298575  0.132942  0.458161  1
  Cu  Cu99  1  0.754593  0.544901  0.504139  1
  Cu  Cu100  1  0.549045  0.633866  0.458489  1
  Cu  Cu101  1  0.504564  0.044844  0.503962  1
  Cu  Cu102  1  1.004559  0.044843  0.503962  1
  Cu  Cu103  1  0.460538  0.456696  0.549896  1
  Cu  Cu104  1  0.254608  0.544900  0.504138  1
  Cu  Cu105  1  0.209981  0.955614  0.549586  1
  Cu  Cu106  1  0.709897  0.955442  0.549602  1
  Cu  Cu107  1  0.167454  0.370170  0.595457  1
  Cu  Cu108  1  0.960615  0.456860  0.549875  1
  Cu  Cu109  1  0.915463  0.867116  0.595082  1
  Cu  Cu110  1  0.416077  0.867139  0.595088  1
  Cu  Cu111  1  0.875673  0.286790  0.641313  1
  Cu  Cu112  1  0.667163  0.370183  0.595454  1
  Cu  Cu113  1  0.624818  0.785087  0.641201  1
  Cu  Cu114  1  0.125428  0.786362  0.641731  1
  Cu  Cu115  1  0.583342  0.205279  0.688751  1
  Cu  Cu116  1  0.376536  0.288582  0.641504  1
  Cu  Cu117  1  0.335595  0.711932  0.689151  1
  Cu  Cu118  1  0.841034  0.712061  0.689140  1
  Cu  Cu119  1  0.265988  0.068140  0.725287  1
  Cu  Cu120  1  0.086757  0.205544  0.688789  1
