# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81689189
_cell_length_b   8.50904890
_cell_length_c   48.93799970
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr56 Ni56'
_cell_volume   4087.90920743
_cell_formula_units_Z   56
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  0.637430  0.524766  0.324389  1
  Zr  Zr2  1  0.642608  0.113954  0.292881  1
  Zr  Zr3  1  0.863663  0.408531  0.277805  1
  Zr  Zr4  1  0.862558  0.815376  0.308083  1
  Zr  Zr5  1  0.142608  0.613954  0.292881  1
  Zr  Zr6  1  0.137430  0.024766  0.324389  1
  Zr  Zr7  1  0.362558  0.315376  0.308083  1
  Zr  Zr8  1  0.363663  0.908531  0.277805  1
  Zr  Zr9  1  0.638842  0.345672  0.391129  1
  Zr  Zr10  1  0.638175  0.933534  0.356834  1
  Zr  Zr11  1  0.863715  0.230180  0.340738  1
  Zr  Zr12  1  0.863040  0.640315  0.374145  1
  Zr  Zr13  1  0.138175  0.433534  0.356834  1
  Zr  Zr14  1  0.138842  0.845672  0.391129  1
  Zr  Zr15  1  0.363040  0.140315  0.374145  1
  Zr  Zr16  1  0.363715  0.730180  0.340738  1
  Zr  Zr17  1  0.638718  0.167592  0.457817  1
  Zr  Zr18  1  0.638734  0.756520  0.424475  1
  Zr  Zr19  1  0.862365  0.050304  0.407599  1
  Zr  Zr20  1  0.862732  0.462544  0.441268  1
  Zr  Zr21  1  0.138734  0.256520  0.424475  1
  Zr  Zr22  1  0.138718  0.667592  0.457817  1
  Zr  Zr23  1  0.362732  0.962544  0.441268  1
  Zr  Zr24  1  0.362365  0.550304  0.407599  1
  Zr  Zr25  1  0.638573  0.989613  0.524715  1
  Zr  Zr26  1  0.638559  0.578776  0.491326  1
  Zr  Zr27  1  0.862833  0.873157  0.474572  1
  Zr  Zr28  1  0.862847  0.283995  0.507961  1
  Zr  Zr29  1  0.138559  0.078776  0.491326  1
  Zr  Zr30  1  0.138573  0.489613  0.524715  1
  Zr  Zr31  1  0.362847  0.783995  0.507961  1
  Zr  Zr32  1  0.362833  0.373157  0.474572  1
  Zr  Zr33  1  0.639040  0.812467  0.591688  1
  Zr  Zr34  1  0.638673  0.400226  0.558020  1
  Zr  Zr35  1  0.862687  0.695179  0.541471  1
  Zr  Zr36  1  0.862671  0.106251  0.574812  1
  Zr  Zr37  1  0.138673  0.900226  0.558020  1
  Zr  Zr38  1  0.139040  0.312467  0.591688  1
  Zr  Zr39  1  0.362671  0.606251  0.574812  1
  Zr  Zr40  1  0.362687  0.195179  0.541471  1
  Zr  Zr41  1  0.637690  0.632591  0.658550  1
  Zr  Zr42  1  0.638365  0.222456  0.625143  1
  Zr  Zr43  1  0.862563  0.517098  0.608159  1
  Zr  Zr44  1  0.863230  0.929237  0.642454  1
  Zr  Zr45  1  0.138365  0.722456  0.625143  1
  Zr  Zr46  1  0.137690  0.132591  0.658550  1
  Zr  Zr47  1  0.363230  0.429237  0.642454  1
  Zr  Zr48  1  0.362563  0.017098  0.608159  1
  Zr  Zr49  1  0.637743  0.454240  0.721482  1
  Zr  Zr50  1  0.638848  0.047394  0.691205  1
  Zr  Zr51  1  0.863975  0.338004  0.674899  1
  Zr  Zr52  1  0.858797  0.748817  0.706407  1
  Zr  Zr53  1  0.138848  0.547394  0.691205  1
  Zr  Zr54  1  0.137743  0.954240  0.721482  1
  Zr  Zr55  1  0.358797  0.248817  0.706407  1
  Zr  Zr56  1  0.363975  0.838004  0.674899  1
  Ni  Ni57  1  0.922853  0.523576  0.324385  1
  Ni  Ni58  1  0.920594  0.108962  0.290795  1
  Ni  Ni59  1  0.582178  0.400700  0.275000  1
  Ni  Ni60  1  0.580930  0.815610  0.306556  1
  Ni  Ni61  1  0.420594  0.608962  0.290795  1
  Ni  Ni62  1  0.422853  0.023576  0.324385  1
  Ni  Ni63  1  0.080930  0.315610  0.306556  1
  Ni  Ni64  1  0.082178  0.900700  0.275000  1
  Ni  Ni65  1  0.921270  0.345509  0.391419  1
  Ni  Ni66  1  0.920640  0.935541  0.357331  1
  Ni  Ni67  1  0.579570  0.232240  0.340555  1
  Ni  Ni68  1  0.580302  0.639999  0.374627  1
  Ni  Ni69  1  0.420640  0.435541  0.357331  1
  Ni  Ni70  1  0.421270  0.845509  0.391419  1
  Ni  Ni71  1  0.080302  0.139999  0.374627  1
  Ni  Ni72  1  0.079570  0.732240  0.340555  1
  Ni  Ni73  1  0.921291  0.167756  0.457734  1
  Ni  Ni74  1  0.921454  0.756205  0.424416  1
  Ni  Ni75  1  0.580315  0.050597  0.407670  1
  Ni  Ni76  1  0.579922  0.462198  0.441116  1
  Ni  Ni77  1  0.421454  0.256205  0.424416  1
  Ni  Ni78  1  0.421291  0.667756  0.457734  1
  Ni  Ni79  1  0.079922  0.962198  0.441116  1
  Ni  Ni80  1  0.080315  0.550597  0.407670  1
  Ni  Ni81  1  0.921323  0.989572  0.524735  1
  Ni  Ni82  1  0.921337  0.578698  0.491329  1
  Ni  Ni83  1  0.580082  0.873199  0.474552  1
  Ni  Ni84  1  0.580069  0.284073  0.507959  1
  Ni  Ni85  1  0.421337  0.078698  0.491329  1
  Ni  Ni86  1  0.421323  0.489572  0.524735  1
  Ni  Ni87  1  0.080069  0.784073  0.507959  1
  Ni  Ni88  1  0.080082  0.373199  0.474552  1
  Ni  Ni89  1  0.921091  0.812173  0.591618  1
  Ni  Ni90  1  0.921484  0.400573  0.558172  1
  Ni  Ni91  1  0.580115  0.695015  0.541553  1
  Ni  Ni92  1  0.579951  0.106565  0.574871  1
  Ni  Ni93  1  0.421484  0.900573  0.558172  1
  Ni  Ni94  1  0.421091  0.312173  0.591618  1
  Ni  Ni95  1  0.079951  0.606565  0.574871  1
  Ni  Ni96  1  0.080115  0.195015  0.541553  1
  Ni  Ni97  1  0.921835  0.630531  0.658733  1
  Ni  Ni98  1  0.921103  0.222771  0.624661  1
  Ni  Ni99  1  0.580135  0.517261  0.607869  1
  Ni  Ni100  1  0.580765  0.927229  0.641956  1
  Ni  Ni101  1  0.421103  0.722771  0.624661  1
  Ni  Ni102  1  0.421835  0.130531  0.658733  1
  Ni  Ni103  1  0.080765  0.427229  0.641956  1
  Ni  Ni104  1  0.080135  0.017261  0.607869  1
  Ni  Ni105  1  0.919227  0.462071  0.724288  1
  Ni  Ni106  1  0.920475  0.047160  0.692732  1
  Ni  Ni107  1  0.578552  0.339194  0.674903  1
  Ni  Ni108  1  0.580812  0.753809  0.708493  1
  Ni  Ni109  1  0.420475  0.547160  0.692732  1
  Ni  Ni110  1  0.419227  0.962071  0.724288  1
  Ni  Ni111  1  0.080812  0.253809  0.708493  1
  Ni  Ni112  1  0.078552  0.839194  0.674903  1
