# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25787026
_cell_length_b   30.15807488
_cell_length_c   49.68532028
_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   'Zr84 Ni84'
_cell_volume   6380.05074758
_cell_formula_units_Z   84
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  0.751865  0.025422  0.294609  1
  Zr  Zr2  1  0.751865  0.674293  0.312847  1
  Zr  Zr3  1  0.751865  0.334289  0.333856  1
  Zr  Zr4  1  0.251865  0.940981  0.315108  1
  Zr  Zr5  1  0.251865  0.603032  0.331481  1
  Zr  Zr6  1  0.251865  0.272799  0.295414  1
  Zr  Zr7  1  0.751865  0.189329  0.285951  1
  Zr  Zr8  1  0.751865  0.852943  0.303024  1
  Zr  Zr9  1  0.751865  0.501264  0.321728  1
  Zr  Zr10  1  0.251865  0.108755  0.305451  1
  Zr  Zr11  1  0.251865  0.774678  0.324286  1
  Zr  Zr12  1  0.251865  0.440287  0.285213  1
  Zr  Zr13  1  0.751865  0.996376  0.355987  1
  Zr  Zr14  1  0.751865  0.658813  0.375230  1
  Zr  Zr15  1  0.751865  0.318411  0.397594  1
  Zr  Zr16  1  0.251865  0.915160  0.378703  1
  Zr  Zr17  1  0.251865  0.574589  0.395594  1
  Zr  Zr18  1  0.251865  0.256511  0.358606  1
  Zr  Zr19  1  0.751865  0.165854  0.347704  1
  Zr  Zr20  1  0.751865  0.828544  0.366253  1
  Zr  Zr21  1  0.751865  0.490995  0.385069  1
  Zr  Zr22  1  0.251865  0.085816  0.369477  1
  Zr  Zr23  1  0.251865  0.744212  0.386973  1
  Zr  Zr24  1  0.251865  0.428530  0.346742  1
  Zr  Zr25  1  0.751865  0.975193  0.419708  1
  Zr  Zr26  1  0.751865  0.633717  0.438447  1
  Zr  Zr27  1  0.751865  0.293824  0.460612  1
  Zr  Zr28  1  0.251865  0.892524  0.440883  1
  Zr  Zr29  1  0.251865  0.552281  0.459602  1
  Zr  Zr30  1  0.251865  0.234111  0.421422  1
  Zr  Zr31  1  0.751865  0.145698  0.410060  1
  Zr  Zr32  1  0.751865  0.803966  0.429095  1
  Zr  Zr33  1  0.751865  0.464233  0.448527  1
  Zr  Zr34  1  0.251865  0.062801  0.431468  1
  Zr  Zr35  1  0.251865  0.722172  0.450063  1
  Zr  Zr36  1  0.251865  0.404146  0.408918  1
  Zr  Zr37  1  0.751865  0.952553  0.482170  1
  Zr  Zr38  1  0.751865  0.612504  0.501000  1
  Zr  Zr39  1  0.751865  0.271497  0.523003  1
  Zr  Zr40  1  0.251865  0.870948  0.503344  1
  Zr  Zr41  1  0.251865  0.530702  0.522554  1
  Zr  Zr42  1  0.251865  0.210946  0.483698  1
  Zr  Zr43  1  0.751865  0.122817  0.472481  1
  Zr  Zr44  1  0.751865  0.782571  0.491691  1
  Zr  Zr45  1  0.751865  0.442573  0.511337  1
  Zr  Zr46  1  0.251865  0.041015  0.494035  1
  Zr  Zr47  1  0.251865  0.700966  0.512865  1
  Zr  Zr48  1  0.251865  0.382022  0.472032  1
  Zr  Zr49  1  0.751865  0.931347  0.544972  1
  Zr  Zr50  1  0.751865  0.590718  0.563567  1
  Zr  Zr51  1  0.751865  0.249373  0.586117  1
  Zr  Zr52  1  0.251865  0.849553  0.565940  1
  Zr  Zr53  1  0.251865  0.507821  0.584975  1
  Zr  Zr54  1  0.251865  0.189286  0.546508  1
  Zr  Zr55  1  0.751865  0.101238  0.535433  1
  Zr  Zr56  1  0.751865  0.760995  0.554152  1
  Zr  Zr57  1  0.751865  0.419408  0.573613  1
  Zr  Zr58  1  0.251865  0.019802  0.556589  1
  Zr  Zr59  1  0.251865  0.678326  0.575327  1
  Zr  Zr60  1  0.251865  0.359695  0.534423  1
  Zr  Zr61  1  0.751865  0.909307  0.608062  1
  Zr  Zr62  1  0.751865  0.567703  0.625558  1
  Zr  Zr63  1  0.751865  0.224989  0.648293  1
  Zr  Zr64  1  0.251865  0.824976  0.628782  1
  Zr  Zr65  1  0.251865  0.487665  0.647331  1
  Zr  Zr66  1  0.251865  0.162524  0.609966  1
  Zr  Zr67  1  0.751865  0.078930  0.599441  1
  Zr  Zr68  1  0.751865  0.738359  0.616332  1
  Zr  Zr69  1  0.751865  0.397008  0.636429  1
  Zr  Zr70  1  0.251865  0.994706  0.619805  1
  Zr  Zr71  1  0.251865  0.657143  0.639048  1
  Zr  Zr72  1  0.251865  0.335108  0.597441  1
  Zr  Zr73  1  0.751865  0.878841  0.670749  1
  Zr  Zr74  1  0.751865  0.544764  0.689584  1
  Zr  Zr75  1  0.751865  0.213232  0.709822  1
  Zr  Zr76  1  0.251865  0.800576  0.692011  1
  Zr  Zr77  1  0.251865  0.464190  0.709084  1
  Zr  Zr78  1  0.251865  0.152255  0.673307  1
  Zr  Zr79  1  0.751865  0.050487  0.663554  1
  Zr  Zr80  1  0.751865  0.712538  0.679927  1
  Zr  Zr81  1  0.751865  0.380721  0.699621  1
  Zr  Zr82  1  0.251865  0.979226  0.682188  1
  Zr  Zr83  1  0.251865  0.628097  0.700426  1
  Zr  Zr84  1  0.251865  0.319230  0.661179  1
  Ni  Ni85  1  0.751865  0.937369  0.288511  1
  Ni  Ni86  1  0.751865  0.582172  0.303009  1
  Ni  Ni87  1  0.751865  0.245456  0.326208  1
  Ni  Ni88  1  0.251865  0.028066  0.329022  1
  Ni  Ni89  1  0.251865  0.706475  0.291122  1
  Ni  Ni90  1  0.251865  0.361908  0.310657  1
  Ni  Ni91  1  0.751865  0.078118  0.336678  1
  Ni  Ni92  1  0.751865  0.757312  0.296194  1
  Ni  Ni93  1  0.751865  0.412023  0.313918  1
  Ni  Ni94  1  0.251865  0.194705  0.320287  1
  Ni  Ni95  1  0.251865  0.860422  0.337798  1
  Ni  Ni96  1  0.251865  0.531263  0.299190  1
  Ni  Ni97  1  0.751865  0.909779  0.343079  1
  Ni  Ni98  1  0.751865  0.571561  0.356508  1
  Ni  Ni99  1  0.751865  0.227180  0.387750  1
  Ni  Ni100  1  0.251865  0.004399  0.390681  1
  Ni  Ni101  1  0.251865  0.691850  0.343800  1
  Ni  Ni102  1  0.251865  0.347086  0.367106  1
  Ni  Ni103  1  0.751865  0.055783  0.397055  1
  Ni  Ni104  1  0.751865  0.740126  0.349374  1
  Ni  Ni105  1  0.751865  0.399012  0.372584  1
  Ni  Ni106  1  0.251865  0.175856  0.381504  1
  Ni  Ni107  1  0.251865  0.833299  0.400571  1
  Ni  Ni108  1  0.251865  0.520876  0.352405  1
  Ni  Ni109  1  0.751865  0.885182  0.407835  1
  Ni  Ni110  1  0.751865  0.544994  0.427065  1
  Ni  Ni111  1  0.751865  0.203756  0.450537  1
  Ni  Ni112  1  0.251865  0.981957  0.453761  1
  Ni  Ni113  1  0.251865  0.663067  0.410011  1
  Ni  Ni114  1  0.251865  0.323462  0.431533  1
  Ni  Ni115  1  0.751865  0.033572  0.460234  1
  Ni  Ni116  1  0.751865  0.714614  0.416967  1
  Ni  Ni117  1  0.751865  0.374626  0.438956  1
  Ni  Ni118  1  0.251865  0.152347  0.443133  1
  Ni  Ni119  1  0.251865  0.811689  0.463111  1
  Ni  Ni120  1  0.251865  0.493881  0.418707  1
  Ni  Ni121  1  0.751865  0.863313  0.469334  1
  Ni  Ni122  1  0.751865  0.523327  0.488702  1
  Ni  Ni123  1  0.751865  0.181604  0.512722  1
  Ni  Ni124  1  0.251865  0.960124  0.516312  1
  Ni  Ni125  1  0.251865  0.641824  0.472789  1
  Ni  Ni126  1  0.251865  0.301062  0.493907  1
  Ni  Ni127  1  0.751865  0.011695  0.522246  1
  Ni  Ni128  1  0.751865  0.693396  0.478723  1
  Ni  Ni129  1  0.751865  0.352457  0.501128  1
  Ni  Ni130  1  0.251865  0.130192  0.506333  1
  Ni  Ni131  1  0.251865  0.790206  0.525701  1
  Ni  Ni132  1  0.251865  0.471916  0.482313  1
  Ni  Ni133  1  0.751865  0.841830  0.531924  1
  Ni  Ni134  1  0.751865  0.501172  0.551902  1
  Ni  Ni135  1  0.751865  0.159638  0.576328  1
  Ni  Ni136  1  0.251865  0.938905  0.578068  1
  Ni  Ni137  1  0.251865  0.619947  0.534801  1
  Ni  Ni138  1  0.251865  0.278893  0.556079  1
  Ni  Ni139  1  0.751865  0.990452  0.585024  1
  Ni  Ni140  1  0.751865  0.671562  0.541274  1
  Ni  Ni141  1  0.751865  0.330057  0.563502  1
  Ni  Ni142  1  0.251865  0.108525  0.567971  1
  Ni  Ni143  1  0.251865  0.768337  0.587200  1
  Ni  Ni144  1  0.251865  0.449763  0.544498  1
  Ni  Ni145  1  0.751865  0.820220  0.594464  1
  Ni  Ni146  1  0.751865  0.477663  0.613531  1
  Ni  Ni147  1  0.751865  0.132644  0.642630  1
  Ni  Ni148  1  0.251865  0.913394  0.645661  1
  Ni  Ni149  1  0.251865  0.597736  0.597980  1
  Ni  Ni150  1  0.251865  0.254507  0.622451  1
  Ni  Ni151  1  0.751865  0.961670  0.651235  1
  Ni  Ni152  1  0.751865  0.649120  0.604354  1
  Ni  Ni153  1  0.751865  0.306434  0.627929  1
  Ni  Ni154  1  0.251865  0.081958  0.638527  1
  Ni  Ni155  1  0.251865  0.743740  0.651956  1
  Ni  Ni156  1  0.251865  0.426339  0.607285  1
  Ni  Ni157  1  0.751865  0.793097  0.657237  1
  Ni  Ni158  1  0.751865  0.458814  0.674748  1
  Ni  Ni159  1  0.751865  0.122256  0.695845  1
  Ni  Ni160  1  0.251865  0.896207  0.698841  1
  Ni  Ni161  1  0.251865  0.575401  0.658357  1
  Ni  Ni162  1  0.251865  0.241496  0.681117  1
  Ni  Ni163  1  0.751865  0.947045  0.703913  1
  Ni  Ni164  1  0.751865  0.625453  0.666013  1
  Ni  Ni165  1  0.751865  0.291611  0.684378  1
  Ni  Ni166  1  0.251865  0.071347  0.692026  1
  Ni  Ni167  1  0.251865  0.716150  0.706524  1
  Ni  Ni168  1  0.251865  0.408064  0.668827  1
