# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98714236
_cell_length_b   15.62894300
_cell_length_c   50.18920625
_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   5480.74411792
_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  0.501853  0.697149  0.345644  1
  Zr  Zr2  1  0.492416  0.294818  0.283440  1
  Zr  Zr3  1  0.751528  0.546819  0.361237  1
  Zr  Zr4  1  0.750186  0.147599  0.299211  1
  Zr  Zr5  1  0.009063  0.102027  0.254415  1
  Zr  Zr6  1  0.002509  0.497755  0.314206  1
  Zr  Zr7  1  0.260509  0.945008  0.268655  1
  Zr  Zr8  1  0.252051  0.347506  0.330009  1
  Zr  Zr9  1  0.992416  0.794818  0.283440  1
  Zr  Zr10  1  0.001853  0.197149  0.345644  1
  Zr  Zr11  1  0.250186  0.647599  0.299211  1
  Zr  Zr12  1  0.251528  0.046819  0.361237  1
  Zr  Zr13  1  0.502509  0.997755  0.314206  1
  Zr  Zr14  1  0.509063  0.602027  0.254415  1
  Zr  Zr15  1  0.752051  0.847506  0.330009  1
  Zr  Zr16  1  0.760509  0.445008  0.268655  1
  Zr  Zr17  1  0.501235  0.496866  0.470606  1
  Zr  Zr18  1  0.501502  0.096883  0.408006  1
  Zr  Zr19  1  0.751581  0.346861  0.486251  1
  Zr  Zr20  1  0.751435  0.946923  0.423639  1
  Zr  Zr21  1  0.001286  0.896982  0.376850  1
  Zr  Zr22  1  1.001179  0.296889  0.439310  1
  Zr  Zr23  1  0.251423  0.746916  0.392358  1
  Zr  Zr24  1  0.251616  0.146883  0.454968  1
  Zr  Zr25  1  0.001502  0.596883  0.408006  1
  Zr  Zr26  1  0.001235  0.996866  0.470606  1
  Zr  Zr27  1  0.251435  0.446923  0.423639  1
  Zr  Zr28  1  0.251581  0.846861  0.486251  1
  Zr  Zr29  1  0.501179  0.796889  0.439310  1
  Zr  Zr30  1  0.501286  0.396982  0.376850  1
  Zr  Zr31  1  0.751616  0.646883  0.454968  1
  Zr  Zr32  1  0.751423  0.246916  0.392358  1
  Zr  Zr33  1  0.501535  0.296831  0.595777  1
  Zr  Zr34  1  0.501232  0.896808  0.533161  1
  Zr  Zr35  1  0.751573  0.146768  0.611266  1
  Zr  Zr36  1  0.751653  0.746826  0.548824  1
  Zr  Zr37  1  0.001274  0.696853  0.501886  1
  Zr  Zr38  1  0.001453  0.096799  0.564449  1
  Zr  Zr39  1  0.251568  0.546837  0.517517  1
  Zr  Zr40  1  0.251420  0.946842  0.580085  1
  Zr  Zr41  1  0.001232  0.396808  0.533161  1
  Zr  Zr42  1  0.001535  0.796831  0.595777  1
  Zr  Zr43  1  0.251653  0.246826  0.548824  1
  Zr  Zr44  1  0.251573  0.646768  0.611266  1
  Zr  Zr45  1  0.501453  0.596799  0.564449  1
  Zr  Zr46  1  0.501274  0.196853  0.501886  1
  Zr  Zr47  1  0.751420  0.446842  0.580085  1
  Zr  Zr48  1  0.751568  0.046837  0.517517  1
  Zr  Zr49  1  0.494949  0.098688  0.719619  1
  Zr  Zr50  1  0.499528  0.696918  0.658230  1
  Zr  Zr51  1  0.753911  0.944937  0.734820  1
  Zr  Zr52  1  0.750780  0.546221  0.673603  1
  Zr  Zr53  1  0.001344  0.496731  0.626859  1
  Zr  Zr54  1  0.002772  0.895145  0.689329  1
  Zr  Zr55  1  0.250516  0.346495  0.642488  1
  Zr  Zr56  1  0.260728  0.749113  0.706757  1
  Zr  Zr57  1  0.999528  0.196918  0.658230  1
  Zr  Zr58  1  0.994949  0.598688  0.719619  1
  Zr  Zr59  1  0.250780  0.046221  0.673603  1
  Zr  Zr60  1  0.253911  0.444937  0.734820  1
  Zr  Zr61  1  0.502772  0.395145  0.689329  1
  Zr  Zr62  1  0.501344  0.996731  0.626859  1
  Zr  Zr63  1  0.760728  0.249113  0.706757  1
  Zr  Zr64  1  0.750516  0.846495  0.642488  1
  Ni  Ni65  1  0.124878  0.772201  0.337602  1
  Ni  Ni66  1  0.126688  0.372674  0.275421  1
  Ni  Ni67  1  0.127101  0.622057  0.353500  1
  Ni  Ni68  1  0.125018  0.222758  0.290852  1
  Ni  Ni69  1  0.875611  0.671975  0.321820  1
  Ni  Ni70  1  0.863758  0.270726  0.259387  1
  Ni  Ni71  1  0.876920  0.722022  0.369108  1
  Ni  Ni72  1  0.874619  0.321706  0.305926  1
  Ni  Ni73  1  0.628291  0.571778  0.306001  1
  Ni  Ni74  1  0.626523  0.971930  0.368987  1
  Ni  Ni75  1  0.630729  0.025154  0.259734  1
  Ni  Ni76  1  0.625649  0.421317  0.321632  1
  Ni  Ni77  1  0.375351  0.872205  0.353368  1
  Ni  Ni78  1  0.381855  0.471042  0.289466  1
  Ni  Ni79  1  0.377299  0.521808  0.337450  1
  Ni  Ni80  1  0.377633  0.121125  0.274522  1
  Ni  Ni81  1  0.626688  0.872674  0.275421  1
  Ni  Ni82  1  0.624878  0.272201  0.337602  1
  Ni  Ni83  1  0.625018  0.722758  0.290852  1
  Ni  Ni84  1  0.627101  0.122057  0.353500  1
  Ni  Ni85  1  0.363758  0.770726  0.259387  1
  Ni  Ni86  1  0.375611  0.171975  0.321820  1
  Ni  Ni87  1  0.374619  0.821706  0.305926  1
  Ni  Ni88  1  0.376920  0.222022  0.369108  1
  Ni  Ni89  1  0.126523  0.471930  0.368987  1
  Ni  Ni90  1  0.128291  0.071778  0.306001  1
  Ni  Ni91  1  0.125649  0.921317  0.321632  1
  Ni  Ni92  1  0.130729  0.525154  0.259734  1
  Ni  Ni93  1  0.881855  0.971042  0.289466  1
  Ni  Ni94  1  0.875351  0.372205  0.353368  1
  Ni  Ni95  1  0.877633  0.621125  0.274522  1
  Ni  Ni96  1  0.877299  0.021808  0.337450  1
  Ni  Ni97  1  0.126419  0.571873  0.462799  1
  Ni  Ni98  1  0.126332  0.171916  0.400305  1
  Ni  Ni99  1  0.126435  0.421857  0.478429  1
  Ni  Ni100  1  0.126529  0.021933  0.415924  1
  Ni  Ni101  1  0.876445  0.471911  0.447181  1
  Ni  Ni102  1  0.876658  0.071807  0.384644  1
  Ni  Ni103  1  0.876428  0.521855  0.494065  1
  Ni  Ni104  1  0.876395  0.121915  0.431549  1
  Ni  Ni105  1  0.626404  0.371907  0.431537  1
  Ni  Ni106  1  0.626421  0.771855  0.494065  1
  Ni  Ni107  1  0.626214  0.821917  0.384663  1
  Ni  Ni108  1  0.626450  0.221886  0.447166  1
  Ni  Ni109  1  0.376400  0.671880  0.478437  1
  Ni  Ni110  1  0.376282  0.271953  0.415957  1
  Ni  Ni111  1  0.376439  0.321902  0.462816  1
  Ni  Ni112  1  0.376462  0.921915  0.400317  1
  Ni  Ni113  1  0.626332  0.671916  0.400305  1
  Ni  Ni114  1  0.626419  0.071873  0.462799  1
  Ni  Ni115  1  0.626529  0.521933  0.415924  1
  Ni  Ni116  1  0.626435  0.921857  0.478429  1
  Ni  Ni117  1  0.376658  0.571807  0.384644  1
  Ni  Ni118  1  0.376445  0.971911  0.447181  1
  Ni  Ni119  1  0.376395  0.621915  0.431549  1
  Ni  Ni120  1  0.376428  0.021855  0.494065  1
  Ni  Ni121  1  0.126421  0.271855  0.494065  1
  Ni  Ni122  1  0.126404  0.871907  0.431537  1
  Ni  Ni123  1  0.126450  0.721886  0.447166  1
  Ni  Ni124  1  0.126214  0.321917  0.384663  1
  Ni  Ni125  1  0.876282  0.771953  0.415957  1
  Ni  Ni126  1  0.876400  0.171880  0.478437  1
  Ni  Ni127  1  0.876462  0.421915  0.400317  1
  Ni  Ni128  1  0.876439  0.821902  0.462816  1
  Ni  Ni129  1  0.126381  0.371746  0.587861  1
  Ni  Ni130  1  0.126420  0.971838  0.525323  1
  Ni  Ni131  1  0.126527  0.221780  0.603531  1
  Ni  Ni132  1  0.126422  0.821823  0.540965  1
  Ni  Ni133  1  0.876421  0.271749  0.572239  1
  Ni  Ni134  1  0.876429  0.871830  0.509693  1
  Ni  Ni135  1  0.876032  0.321855  0.619077  1
  Ni  Ni136  1  0.876394  0.921770  0.556582  1
  Ni  Ni137  1  0.626412  0.171815  0.556585  1
  Ni  Ni138  1  0.626529  0.571880  0.619138  1
  Ni  Ni139  1  0.626415  0.621855  0.509693  1
  Ni  Ni140  1  0.626359  0.021779  0.572210  1
  Ni  Ni141  1  0.376511  0.471793  0.603453  1
  Ni  Ni142  1  0.376402  0.071825  0.540952  1
  Ni  Ni143  1  0.376565  0.121840  0.587860  1
  Ni  Ni144  1  0.376441  0.721824  0.525325  1
  Ni  Ni145  1  0.626420  0.471838  0.525323  1
  Ni  Ni146  1  0.626381  0.871746  0.587861  1
  Ni  Ni147  1  0.626422  0.321823  0.540965  1
  Ni  Ni148  1  0.626527  0.721780  0.603531  1
  Ni  Ni149  1  0.376429  0.371830  0.509693  1
  Ni  Ni150  1  0.376421  0.771749  0.572239  1
  Ni  Ni151  1  0.376394  0.421770  0.556582  1
  Ni  Ni152  1  0.376032  0.821855  0.619077  1
  Ni  Ni153  1  0.126529  0.071880  0.619138  1
  Ni  Ni154  1  0.126412  0.671815  0.556585  1
  Ni  Ni155  1  0.126359  0.521779  0.572210  1
  Ni  Ni156  1  0.126415  0.121855  0.509693  1
  Ni  Ni157  1  0.876402  0.571825  0.540952  1
  Ni  Ni158  1  0.876511  0.971793  0.603453  1
  Ni  Ni159  1  0.876441  0.221824  0.525325  1
  Ni  Ni160  1  0.876565  0.621840  0.587860  1
  Ni  Ni161  1  0.123113  0.170688  0.712651  1
  Ni  Ni162  1  0.128114  0.771582  0.650610  1
  Ni  Ni163  1  0.123826  0.021283  0.728122  1
  Ni  Ni164  1  0.126480  0.622496  0.666344  1
  Ni  Ni165  1  0.873724  0.072006  0.697541  1
  Ni  Ni166  1  0.877267  0.671710  0.634743  1
  Ni  Ni167  1  0.854051  0.117948  0.743457  1
  Ni  Ni168  1  0.877065  0.721678  0.682032  1
  Ni  Ni169  1  0.625696  0.971970  0.681926  1
  Ni  Ni170  1  0.618197  0.371576  0.742727  1
  Ni  Ni171  1  0.626178  0.421660  0.634672  1
  Ni  Ni172  1  0.628187  0.821652  0.697386  1
  Ni  Ni173  1  0.381053  0.270593  0.728631  1
  Ni  Ni174  1  0.377361  0.871685  0.666399  1
  Ni  Ni175  1  0.378839  0.924312  0.713623  1
  Ni  Ni176  1  0.374942  0.521635  0.650243  1
  Ni  Ni177  1  0.628114  0.271582  0.650610  1
  Ni  Ni178  1  0.623113  0.670688  0.712651  1
  Ni  Ni179  1  0.626480  0.122496  0.666344  1
  Ni  Ni180  1  0.623826  0.521283  0.728122  1
  Ni  Ni181  1  0.377267  0.171710  0.634743  1
  Ni  Ni182  1  0.373724  0.572006  0.697541  1
  Ni  Ni183  1  0.377065  0.221678  0.682032  1
  Ni  Ni184  1  0.354051  0.617948  0.743457  1
  Ni  Ni185  1  0.118197  0.871576  0.742727  1
  Ni  Ni186  1  0.125696  0.471970  0.681926  1
  Ni  Ni187  1  0.128187  0.321652  0.697386  1
  Ni  Ni188  1  0.126178  0.921660  0.634672  1
  Ni  Ni189  1  0.877361  0.371685  0.666399  1
  Ni  Ni190  1  0.881053  0.770593  0.728631  1
  Ni  Ni191  1  0.874942  0.021635  0.650243  1
  Ni  Ni192  1  0.878839  0.424312  0.713623  1
