# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99826063
_cell_length_b   15.66147948
_cell_length_c   50.31173269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr64 Ni128'
_cell_volume   5514.32263323
_cell_formula_units_Z   64
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  0.263742  0.945728  0.268436  1
  Zr  Zr2  1  0.252390  0.347659  0.329783  1
  Zr  Zr3  1  0.992111  0.794939  0.283430  1
  Zr  Zr4  1  0.001767  0.197219  0.345466  1
  Zr  Zr5  1  0.752041  0.546875  0.361074  1
  Zr  Zr6  1  0.751702  0.147333  0.299040  1
  Zr  Zr7  1  0.502547  0.997772  0.313988  1
  Zr  Zr8  1  0.513223  0.604431  0.254421  1
  Zr  Zr9  1  0.752390  0.847659  0.329783  1
  Zr  Zr10  1  0.763742  0.445728  0.268436  1
  Zr  Zr11  1  0.501767  0.697219  0.345466  1
  Zr  Zr12  1  0.492111  0.294939  0.283430  1
  Zr  Zr13  1  0.251702  0.647333  0.299040  1
  Zr  Zr14  1  0.252041  0.046875  0.361074  1
  Zr  Zr15  1  0.013223  0.104431  0.254421  1
  Zr  Zr16  1  0.002547  0.497772  0.313988  1
  Zr  Zr17  1  0.251857  0.747050  0.392285  1
  Zr  Zr18  1  0.251948  0.147001  0.454897  1
  Zr  Zr19  1  0.001638  0.596997  0.407950  1
  Zr  Zr20  1  0.001563  0.996987  0.470531  1
  Zr  Zr21  1  0.751923  0.346978  0.486173  1
  Zr  Zr22  1  0.751942  0.947034  0.423581  1
  Zr  Zr23  1  0.501507  0.797018  0.439240  1
  Zr  Zr24  1  0.501548  0.397073  0.376703  1
  Zr  Zr25  1  0.751948  0.647001  0.454897  1
  Zr  Zr26  1  0.751857  0.247050  0.392285  1
  Zr  Zr27  1  0.501563  0.496987  0.470531  1
  Zr  Zr28  1  0.501638  0.096997  0.407950  1
  Zr  Zr29  1  0.251942  0.447034  0.423581  1
  Zr  Zr30  1  0.251923  0.846978  0.486173  1
  Zr  Zr31  1  1.001548  0.897073  0.376703  1
  Zr  Zr32  1  1.001507  0.297018  0.439240  1
  Zr  Zr33  1  0.251931  0.546962  0.517448  1
  Zr  Zr34  1  0.251939  0.946957  0.580038  1
  Zr  Zr35  1  1.001546  0.396940  0.533089  1
  Zr  Zr36  1  0.001788  0.796893  0.595719  1
  Zr  Zr37  1  0.751888  0.146874  0.611269  1
  Zr  Zr38  1  0.752015  0.746942  0.548759  1
  Zr  Zr39  1  0.501599  0.596934  0.564380  1
  Zr  Zr40  1  0.501578  0.196975  0.501815  1
  Zr  Zr41  1  0.751939  0.446957  0.580038  1
  Zr  Zr42  1  0.751931  0.046962  0.517448  1
  Zr  Zr43  1  0.501788  0.296893  0.595719  1
  Zr  Zr44  1  0.501546  0.896940  0.533089  1
  Zr  Zr45  1  0.252015  0.246942  0.548759  1
  Zr  Zr46  1  0.251888  0.646874  0.611269  1
  Zr  Zr47  1  0.001578  0.696975  0.501815  1
  Zr  Zr48  1  0.001599  0.096934  0.564380  1
  Zr  Zr49  1  0.251167  0.346729  0.642462  1
  Zr  Zr50  1  0.261631  0.749089  0.706687  1
  Zr  Zr51  1  1.000245  0.196978  0.658251  1
  Zr  Zr52  1  0.992904  0.598390  0.719593  1
  Zr  Zr53  1  0.754736  0.943761  0.734746  1
  Zr  Zr54  1  0.751197  0.546470  0.673602  1
  Zr  Zr55  1  0.502728  0.395580  0.689328  1
  Zr  Zr56  1  0.501591  0.996930  0.626909  1
  Zr  Zr57  1  0.761631  0.249089  0.706687  1
  Zr  Zr58  1  0.751167  0.846729  0.642462  1
  Zr  Zr59  1  0.492904  0.098390  0.719593  1
  Zr  Zr60  1  0.500245  0.696978  0.658251  1
  Zr  Zr61  1  0.251197  0.046470  0.673602  1
  Zr  Zr62  1  0.254736  0.443761  0.734746  1
  Zr  Zr63  1  0.001591  0.496930  0.626909  1
  Zr  Zr64  1  0.002728  0.895580  0.689328  1
  Ni  Ni65  1  0.884468  0.971528  0.289229  1
  Ni  Ni66  1  0.875559  0.372214  0.353244  1
  Ni  Ni67  1  0.634230  0.026155  0.259849  1
  Ni  Ni68  1  0.626194  0.421192  0.321398  1
  Ni  Ni69  1  0.627145  0.873470  0.275636  1
  Ni  Ni70  1  0.624741  0.272189  0.337442  1
  Ni  Ni71  1  0.876923  0.722102  0.368986  1
  Ni  Ni72  1  0.874108  0.321973  0.305881  1
  Ni  Ni73  1  0.361152  0.770684  0.259591  1
  Ni  Ni74  1  0.375971  0.172195  0.321849  1
  Ni  Ni75  1  0.127270  0.622143  0.353396  1
  Ni  Ni76  1  0.125035  0.222994  0.290945  1
  Ni  Ni77  1  0.126969  0.472094  0.368870  1
  Ni  Ni78  1  0.128903  0.071786  0.305853  1
  Ni  Ni79  1  0.378158  0.521802  0.337402  1
  Ni  Ni80  1  0.378691  0.121183  0.274611  1
  Ni  Ni81  1  0.375559  0.872214  0.353244  1
  Ni  Ni82  1  0.384468  0.471528  0.289229  1
  Ni  Ni83  1  0.126194  0.921192  0.321398  1
  Ni  Ni84  1  0.134230  0.526155  0.259849  1
  Ni  Ni85  1  0.124741  0.772189  0.337442  1
  Ni  Ni86  1  0.127145  0.373470  0.275636  1
  Ni  Ni87  1  0.374108  0.821973  0.305881  1
  Ni  Ni88  1  0.376923  0.222102  0.368986  1
  Ni  Ni89  1  0.875971  0.672195  0.321849  1
  Ni  Ni90  1  0.861152  0.270684  0.259591  1
  Ni  Ni91  1  0.625035  0.722994  0.290945  1
  Ni  Ni92  1  0.627270  0.122143  0.353396  1
  Ni  Ni93  1  0.628903  0.571786  0.305853  1
  Ni  Ni94  1  0.626969  0.972094  0.368870  1
  Ni  Ni95  1  0.878691  0.621183  0.274611  1
  Ni  Ni96  1  0.878158  0.021802  0.337402  1
  Ni  Ni97  1  0.876654  0.772060  0.415825  1
  Ni  Ni98  1  0.876757  0.171992  0.478350  1
  Ni  Ni99  1  0.626548  0.822094  0.384525  1
  Ni  Ni100  1  0.626755  0.222003  0.447067  1
  Ni  Ni101  1  0.626733  0.672033  0.400175  1
  Ni  Ni102  1  0.626764  0.071997  0.462711  1
  Ni  Ni103  1  0.876754  0.521974  0.493992  1
  Ni  Ni104  1  0.876741  0.122023  0.431430  1
  Ni  Ni105  1  0.377114  0.571961  0.384505  1
  Ni  Ni106  1  0.376776  0.972008  0.447077  1
  Ni  Ni107  1  0.126759  0.421981  0.478349  1
  Ni  Ni108  1  0.126853  0.022033  0.415800  1
  Ni  Ni109  1  0.126760  0.271976  0.493995  1
  Ni  Ni110  1  0.126759  0.872017  0.431430  1
  Ni  Ni111  1  0.376754  0.322005  0.462718  1
  Ni  Ni112  1  0.376791  0.922051  0.400167  1
  Ni  Ni113  1  0.376757  0.671992  0.478350  1
  Ni  Ni114  1  0.376654  0.272060  0.415825  1
  Ni  Ni115  1  0.126755  0.722003  0.447067  1
  Ni  Ni116  1  0.126548  0.322094  0.384525  1
  Ni  Ni117  1  0.126764  0.571997  0.462711  1
  Ni  Ni118  1  0.126733  0.172033  0.400175  1
  Ni  Ni119  1  0.376741  0.622023  0.431430  1
  Ni  Ni120  1  0.376754  0.021974  0.493992  1
  Ni  Ni121  1  0.876776  0.472008  0.447077  1
  Ni  Ni122  1  0.877114  0.071961  0.384505  1
  Ni  Ni123  1  0.626853  0.522033  0.415800  1
  Ni  Ni124  1  0.626759  0.921981  0.478349  1
  Ni  Ni125  1  0.626759  0.372017  0.431430  1
  Ni  Ni126  1  0.626760  0.771976  0.493995  1
  Ni  Ni127  1  0.876791  0.422051  0.400167  1
  Ni  Ni128  1  0.876754  0.822005  0.462718  1
  Ni  Ni129  1  0.876734  0.571949  0.540907  1
  Ni  Ni130  1  0.876721  0.971869  0.603414  1
  Ni  Ni131  1  0.626757  0.621972  0.509634  1
  Ni  Ni132  1  0.626705  0.021917  0.572175  1
  Ni  Ni133  1  0.626754  0.471953  0.525272  1
  Ni  Ni134  1  0.626713  0.871881  0.587816  1
  Ni  Ni135  1  0.876524  0.321909  0.619082  1
  Ni  Ni136  1  0.876762  0.921901  0.556541  1
  Ni  Ni137  1  0.376757  0.371956  0.509633  1
  Ni  Ni138  1  0.376759  0.771900  0.572191  1
  Ni  Ni139  1  0.126701  0.221889  0.603503  1
  Ni  Ni140  1  0.126769  0.821948  0.540920  1
  Ni  Ni141  1  0.126534  0.071978  0.619095  1
  Ni  Ni142  1  0.126742  0.671939  0.556547  1
  Ni  Ni143  1  0.376752  0.121941  0.587829  1
  Ni  Ni144  1  0.376771  0.721958  0.525272  1
  Ni  Ni145  1  0.376721  0.471869  0.603414  1
  Ni  Ni146  1  0.376734  0.071949  0.540907  1
  Ni  Ni147  1  0.126705  0.521917  0.572175  1
  Ni  Ni148  1  0.126757  0.121972  0.509634  1
  Ni  Ni149  1  0.126713  0.371881  0.587816  1
  Ni  Ni150  1  0.126754  0.971953  0.525272  1
  Ni  Ni151  1  0.376762  0.421901  0.556541  1
  Ni  Ni152  1  0.376524  0.821909  0.619082  1
  Ni  Ni153  1  0.876759  0.271900  0.572191  1
  Ni  Ni154  1  0.876757  0.871956  0.509633  1
  Ni  Ni155  1  0.626769  0.321948  0.540920  1
  Ni  Ni156  1  0.626701  0.721889  0.603503  1
  Ni  Ni157  1  0.626742  0.171939  0.556547  1
  Ni  Ni158  1  0.626534  0.571978  0.619095  1
  Ni  Ni159  1  0.876771  0.221958  0.525272  1
  Ni  Ni160  1  0.876752  0.621941  0.587829  1
  Ni  Ni161  1  0.877903  0.371684  0.666318  1
  Ni  Ni162  1  0.882819  0.770428  0.728381  1
  Ni  Ni163  1  0.626556  0.421658  0.634635  1
  Ni  Ni164  1  0.629098  0.821719  0.697233  1
  Ni  Ni165  1  0.629039  0.271742  0.650691  1
  Ni  Ni166  1  0.622860  0.670243  0.712431  1
  Ni  Ni167  1  0.849764  0.116222  0.743168  1
  Ni  Ni168  1  0.878117  0.721735  0.682012  1
  Ni  Ni169  1  0.377799  0.171979  0.634734  1
  Ni  Ni170  1  0.372408  0.571755  0.697543  1
  Ni  Ni171  1  0.122746  0.020866  0.727844  1
  Ni  Ni172  1  0.126925  0.622900  0.666484  1
  Ni  Ni173  1  0.117269  0.871551  0.742403  1
  Ni  Ni174  1  0.125880  0.472239  0.681996  1
  Ni  Ni175  1  0.379485  0.924443  0.713527  1
  Ni  Ni176  1  0.375085  0.521849  0.650204  1
  Ni  Ni177  1  0.382819  0.270428  0.728381  1
  Ni  Ni178  1  0.377903  0.871684  0.666318  1
  Ni  Ni179  1  0.129098  0.321719  0.697233  1
  Ni  Ni180  1  0.126556  0.921658  0.634635  1
  Ni  Ni181  1  0.122860  0.170243  0.712431  1
  Ni  Ni182  1  0.129039  0.771742  0.650691  1
  Ni  Ni183  1  0.378117  0.221735  0.682012  1
  Ni  Ni184  1  0.349764  0.616222  0.743168  1
  Ni  Ni185  1  0.872408  0.071755  0.697543  1
  Ni  Ni186  1  0.877799  0.671979  0.634734  1
  Ni  Ni187  1  0.626925  0.122900  0.666484  1
  Ni  Ni188  1  0.622746  0.520866  0.727844  1
  Ni  Ni189  1  0.625880  0.972239  0.681996  1
  Ni  Ni190  1  0.617269  0.371551  0.742403  1
  Ni  Ni191  1  0.875085  0.021849  0.650204  1
  Ni  Ni192  1  0.879485  0.424443  0.713527  1
