# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82366474
_cell_length_b   12.08800610
_cell_length_c   48.12638745
_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   'Zr72 Ni72'
_cell_volume   5714.93724945
_cell_formula_units_Z   72
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  0.638709  0.844868  0.338490  1
  Zr  Zr2  1  0.638290  0.239198  0.294025  1
  Zr  Zr3  1  0.640810  0.540646  0.315582  1
  Zr  Zr4  1  0.862425  0.739198  0.294025  1
  Zr  Zr5  1  0.859905  0.040646  0.315582  1
  Zr  Zr6  1  0.862006  0.344868  0.338490  1
  Zr  Zr7  1  0.139466  0.892025  0.305119  1
  Zr  Zr8  1  0.139193  0.191821  0.326412  1
  Zr  Zr9  1  0.137164  0.498738  0.350170  1
  Zr  Zr10  1  0.361522  0.691821  0.326412  1
  Zr  Zr11  1  0.363550  0.998738  0.350170  1
  Zr  Zr12  1  0.361249  0.392025  0.305119  1
  Zr  Zr13  1  0.638472  0.756990  0.409724  1
  Zr  Zr14  1  0.637724  0.148334  0.361655  1
  Zr  Zr15  1  0.637544  0.453410  0.385605  1
  Zr  Zr16  1  0.862991  0.648334  0.361655  1
  Zr  Zr17  1  0.863171  0.953410  0.385605  1
  Zr  Zr18  1  0.862243  0.256990  0.409724  1
  Zr  Zr19  1  0.137683  0.799534  0.372951  1
  Zr  Zr20  1  0.138405  0.106249  0.397722  1
  Zr  Zr21  1  0.138775  0.408125  0.421383  1
  Zr  Zr22  1  0.362310  0.606249  0.397722  1
  Zr  Zr23  1  0.361940  0.908125  0.421383  1
  Zr  Zr24  1  0.363032  0.299534  0.372951  1
  Zr  Zr25  1  0.638320  0.668743  0.481326  1
  Zr  Zr26  1  0.638482  0.060585  0.433547  1
  Zr  Zr27  1  0.638442  0.365009  0.457565  1
  Zr  Zr28  1  0.862233  0.560585  0.433547  1
  Zr  Zr29  1  0.862273  0.865009  0.457565  1
  Zr  Zr30  1  0.862395  0.168743  0.481326  1
  Zr  Zr31  1  0.138370  0.713106  0.445614  1
  Zr  Zr32  1  0.138467  0.016666  0.469346  1
  Zr  Zr33  1  0.138192  0.320731  0.493265  1
  Zr  Zr34  1  0.362248  0.516666  0.469346  1
  Zr  Zr35  1  0.362523  0.820731  0.493265  1
  Zr  Zr36  1  0.362344  0.213106  0.445614  1
  Zr  Zr37  1  0.638370  0.580190  0.552911  1
  Zr  Zr38  1  0.638192  0.972565  0.505261  1
  Zr  Zr39  1  0.638467  0.276630  0.529180  1
  Zr  Zr40  1  0.862523  0.472565  0.505261  1
  Zr  Zr41  1  0.862248  0.776630  0.529180  1
  Zr  Zr42  1  0.862344  0.080190  0.552911  1
  Zr  Zr43  1  0.138320  0.624553  0.517199  1
  Zr  Zr44  1  0.138442  0.928287  0.540961  1
  Zr  Zr45  1  0.138482  0.232711  0.564979  1
  Zr  Zr46  1  0.362273  0.428287  0.540961  1
  Zr  Zr47  1  0.362233  0.732711  0.564979  1
  Zr  Zr48  1  0.362395  0.124553  0.517199  1
  Zr  Zr49  1  0.637683  0.493762  0.625574  1
  Zr  Zr50  1  0.638775  0.885171  0.577143  1
  Zr  Zr51  1  0.638405  0.187047  0.600804  1
  Zr  Zr52  1  0.861940  0.385171  0.577143  1
  Zr  Zr53  1  0.862310  0.687047  0.600804  1
  Zr  Zr54  1  0.863032  0.993762  0.625574  1
  Zr  Zr55  1  0.138472  0.536306  0.588802  1
  Zr  Zr56  1  0.137544  0.839886  0.612921  1
  Zr  Zr57  1  0.137724  0.144962  0.636871  1
  Zr  Zr58  1  0.363171  0.339886  0.612921  1
  Zr  Zr59  1  0.362991  0.644962  0.636871  1
  Zr  Zr60  1  0.362243  0.036306  0.588802  1
  Zr  Zr61  1  0.639466  0.401271  0.693406  1
  Zr  Zr62  1  0.637164  0.794558  0.648355  1
  Zr  Zr63  1  0.639193  0.101475  0.672114  1
  Zr  Zr64  1  0.863550  0.294558  0.648355  1
  Zr  Zr65  1  0.861522  0.601475  0.672114  1
  Zr  Zr66  1  0.861249  0.901271  0.693406  1
  Zr  Zr67  1  0.138709  0.448427  0.660036  1
  Zr  Zr68  1  0.140810  0.752650  0.682944  1
  Zr  Zr69  1  0.138290  0.054098  0.704501  1
  Zr  Zr70  1  0.359905  0.252650  0.682944  1
  Zr  Zr71  1  0.362425  0.554098  0.704501  1
  Zr  Zr72  1  0.362006  0.948427  0.660036  1
  Ni  Ni73  1  0.923308  0.844931  0.338295  1
  Ni  Ni74  1  0.919677  0.234434  0.291549  1
  Ni  Ni75  1  0.919800  0.538908  0.313827  1
  Ni  Ni76  1  0.581038  0.734434  0.291549  1
  Ni  Ni77  1  0.580915  0.038908  0.313827  1
  Ni  Ni78  1  0.577407  0.344931  0.338295  1
  Ni  Ni79  1  0.418897  0.887125  0.303292  1
  Ni  Ni80  1  0.420409  0.190727  0.324834  1
  Ni  Ni81  1  0.419989  0.498485  0.350367  1
  Ni  Ni82  1  0.080306  0.690727  0.324834  1
  Ni  Ni83  1  0.080726  0.998485  0.350367  1
  Ni  Ni84  1  0.081818  0.387125  0.303292  1
  Ni  Ni85  1  0.920802  0.757107  0.410031  1
  Ni  Ni86  1  0.921630  0.150161  0.361370  1
  Ni  Ni87  1  0.921198  0.453038  0.385907  1
  Ni  Ni88  1  0.579084  0.650161  0.361370  1
  Ni  Ni89  1  0.579517  0.953038  0.385907  1
  Ni  Ni90  1  0.579913  0.257107  0.410031  1
  Ni  Ni91  1  0.419998  0.802104  0.372903  1
  Ni  Ni92  1  0.420652  0.105125  0.398175  1
  Ni  Ni93  1  0.420641  0.408740  0.421483  1
  Ni  Ni94  1  0.080063  0.605125  0.398175  1
  Ni  Ni95  1  0.080074  0.908740  0.421483  1
  Ni  Ni96  1  0.080717  0.302104  0.372903  1
  Ni  Ni97  1  0.920949  0.668634  0.481301  1
  Ni  Ni98  1  0.921226  0.060597  0.433629  1
  Ni  Ni99  1  0.921047  0.364836  0.457408  1
  Ni  Ni100  1  0.579489  0.560597  0.433629  1
  Ni  Ni101  1  0.579667  0.864836  0.457408  1
  Ni  Ni102  1  0.579765  0.168634  0.481301  1
  Ni  Ni103  1  0.420943  0.712761  0.445616  1
  Ni  Ni104  1  0.420874  0.016714  0.469241  1
  Ni  Ni105  1  0.420991  0.320616  0.493285  1
  Ni  Ni106  1  0.079841  0.516714  0.469241  1
  Ni  Ni107  1  0.079724  0.820616  0.493285  1
  Ni  Ni108  1  0.079772  0.212761  0.445616  1
  Ni  Ni109  1  0.920943  0.580535  0.552910  1
  Ni  Ni110  1  0.920991  0.972680  0.505241  1
  Ni  Ni111  1  0.920874  0.276582  0.529285  1
  Ni  Ni112  1  0.579724  0.472680  0.505241  1
  Ni  Ni113  1  0.579841  0.776582  0.529285  1
  Ni  Ni114  1  0.579772  0.080535  0.552910  1
  Ni  Ni115  1  0.420949  0.624662  0.517225  1
  Ni  Ni116  1  0.421047  0.928460  0.541117  1
  Ni  Ni117  1  0.421226  0.232699  0.564897  1
  Ni  Ni118  1  0.079667  0.428460  0.541117  1
  Ni  Ni119  1  0.079489  0.732699  0.564897  1
  Ni  Ni120  1  0.079765  0.124662  0.517225  1
  Ni  Ni121  1  0.919998  0.491192  0.625623  1
  Ni  Ni122  1  0.920641  0.884556  0.577043  1
  Ni  Ni123  1  0.920652  0.188171  0.600351  1
  Ni  Ni124  1  0.580074  0.384556  0.577043  1
  Ni  Ni125  1  0.580063  0.688171  0.600351  1
  Ni  Ni126  1  0.580717  0.991192  0.625623  1
  Ni  Ni127  1  0.420802  0.536189  0.588495  1
  Ni  Ni128  1  0.421198  0.840258  0.612619  1
  Ni  Ni129  1  0.421630  0.143134  0.637156  1
  Ni  Ni130  1  0.079517  0.340258  0.612619  1
  Ni  Ni131  1  0.079084  0.643134  0.637156  1
  Ni  Ni132  1  0.079913  0.036189  0.588495  1
  Ni  Ni133  1  0.918897  0.406171  0.695234  1
  Ni  Ni134  1  0.919989  0.794811  0.648159  1
  Ni  Ni135  1  0.920409  0.102569  0.673692  1
  Ni  Ni136  1  0.580726  0.294811  0.648159  1
  Ni  Ni137  1  0.580306  0.602569  0.673692  1
  Ni  Ni138  1  0.581818  0.906171  0.695234  1
  Ni  Ni139  1  0.423308  0.448365  0.660231  1
  Ni  Ni140  1  0.419800  0.754388  0.684699  1
  Ni  Ni141  1  0.419677  0.058862  0.706977  1
  Ni  Ni142  1  0.080915  0.254388  0.684699  1
  Ni  Ni143  1  0.081038  0.558862  0.706977  1
  Ni  Ni144  1  0.077407  0.948365  0.660231  1
