# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43455765
_cell_length_b   7.55117153
_cell_length_c   48.45786500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr56 Cu28'
_cell_volume   3818.14708134
_cell_formula_units_Z   28
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  0.153097  0.468497  0.320795  1
  Zr  Zr2  1  0.154581  0.056459  0.293890  1
  Zr  Zr3  1  0.351331  0.176948  0.337015  1
  Zr  Zr4  1  0.348454  0.759931  0.307419  1
  Zr  Zr5  1  0.654621  0.176948  0.337015  1
  Zr  Zr6  1  0.657499  0.759931  0.307419  1
  Zr  Zr7  1  0.852855  0.468497  0.320795  1
  Zr  Zr8  1  0.851371  0.056459  0.293890  1
  Zr  Zr9  1  0.152394  0.274155  0.383357  1
  Zr  Zr10  1  0.149748  0.872519  0.351797  1
  Zr  Zr11  1  0.354390  0.973524  0.398943  1
  Zr  Zr12  1  0.356335  0.576741  0.367579  1
  Zr  Zr13  1  0.651562  0.973524  0.398943  1
  Zr  Zr14  1  0.649618  0.576741  0.367579  1
  Zr  Zr15  1  0.853558  0.274155  0.383357  1
  Zr  Zr16  1  0.856204  0.872519  0.351797  1
  Zr  Zr17  1  0.152318  0.076227  0.446355  1
  Zr  Zr18  1  0.152243  0.675374  0.414789  1
  Zr  Zr19  1  0.353433  0.776817  0.462039  1
  Zr  Zr20  1  0.353718  0.375403  0.430223  1
  Zr  Zr21  1  0.652520  0.776817  0.462039  1
  Zr  Zr22  1  0.652234  0.375403  0.430223  1
  Zr  Zr23  1  0.853634  0.076227  0.446355  1
  Zr  Zr24  1  0.853709  0.675374  0.414789  1
  Zr  Zr25  1  0.152343  0.877436  0.509271  1
  Zr  Zr26  1  0.152146  0.476989  0.477680  1
  Zr  Zr27  1  0.353806  0.578479  0.525083  1
  Zr  Zr28  1  0.353610  0.178032  0.493492  1
  Zr  Zr29  1  0.652146  0.578479  0.525083  1
  Zr  Zr30  1  0.652343  0.178032  0.493492  1
  Zr  Zr31  1  0.853610  0.877436  0.509271  1
  Zr  Zr32  1  0.853806  0.476989  0.477680  1
  Zr  Zr33  1  0.152234  0.680065  0.572540  1
  Zr  Zr34  1  0.152520  0.278651  0.540724  1
  Zr  Zr35  1  0.353709  0.380094  0.587975  1
  Zr  Zr36  1  0.353634  0.979241  0.556408  1
  Zr  Zr37  1  0.652243  0.380094  0.587975  1
  Zr  Zr38  1  0.652318  0.979241  0.556408  1
  Zr  Zr39  1  0.853718  0.680065  0.572540  1
  Zr  Zr40  1  0.853433  0.278651  0.540724  1
  Zr  Zr41  1  0.149618  0.478727  0.635184  1
  Zr  Zr42  1  0.151562  0.081944  0.603820  1
  Zr  Zr43  1  0.356204  0.182950  0.650966  1
  Zr  Zr44  1  0.353558  0.781313  0.619406  1
  Zr  Zr45  1  0.649748  0.182950  0.650966  1
  Zr  Zr46  1  0.652394  0.781313  0.619406  1
  Zr  Zr47  1  0.856335  0.478727  0.635184  1
  Zr  Zr48  1  0.854390  0.081944  0.603820  1
  Zr  Zr49  1  0.157499  0.295537  0.695344  1
  Zr  Zr50  1  0.154621  0.878520  0.665748  1
  Zr  Zr51  1  0.351371  0.999010  0.708873  1
  Zr  Zr52  1  0.352855  0.586972  0.681969  1
  Zr  Zr53  1  0.654581  0.999010  0.708873  1
  Zr  Zr54  1  0.653097  0.586972  0.681969  1
  Zr  Zr55  1  0.848454  0.295537  0.695344  1
  Zr  Zr56  1  0.851331  0.878520  0.665748  1
  Cu  Cu57  1  0.002976  0.177942  0.336728  1
  Cu  Cu58  1  0.002976  0.760298  0.304735  1
  Cu  Cu59  1  0.502976  0.467636  0.319885  1
  Cu  Cu60  1  0.502976  0.038670  0.296607  1
  Cu  Cu61  1  0.002976  0.974532  0.399152  1
  Cu  Cu62  1  0.002976  0.575048  0.367184  1
  Cu  Cu63  1  0.502976  0.275087  0.383025  1
  Cu  Cu64  1  0.502976  0.882266  0.350406  1
  Cu  Cu65  1  1.002976  0.776656  0.462069  1
  Cu  Cu66  1  1.002976  0.375080  0.430428  1
  Cu  Cu67  1  0.502976  0.076239  0.446338  1
  Cu  Cu68  1  0.502976  0.675091  0.415419  1
  Cu  Cu69  1  1.002976  0.578371  0.525161  1
  Cu  Cu70  1  1.002976  0.177385  0.493599  1
  Cu  Cu71  1  0.502976  0.878083  0.509164  1
  Cu  Cu72  1  0.502976  0.477097  0.477602  1
  Cu  Cu73  1  0.002976  0.380378  0.587345  1
  Cu  Cu74  1  0.002976  0.979230  0.556425  1
  Cu  Cu75  1  0.502976  0.680388  0.572335  1
  Cu  Cu76  1  0.502976  0.278812  0.540694  1
  Cu  Cu77  1  0.002976  0.173203  0.652357  1
  Cu  Cu78  1  1.002976  0.780381  0.619738  1
  Cu  Cu79  1  0.502976  0.480420  0.635579  1
  Cu  Cu80  1  0.502976  0.080936  0.603611  1
  Cu  Cu81  1  0.002976  0.016798  0.706156  1
  Cu  Cu82  1  0.002976  0.587832  0.682878  1
  Cu  Cu83  1  0.502976  0.295170  0.698028  1
  Cu  Cu84  1  0.502976  0.877526  0.666036  1
