# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80424584
_cell_length_b   13.22544465
_cell_length_c   47.31390806
_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   6134.98205469
_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  0.638707  0.314917  0.316394  1
  Zr  Zr2  1  0.638197  0.923381  0.295126  1
  Zr  Zr3  1  0.640270  0.534734  0.275655  1
  Zr  Zr4  1  0.864446  0.509834  0.327545  1
  Zr  Zr5  1  0.863834  0.119411  0.306448  1
  Zr  Zr6  1  0.864246  0.726398  0.284862  1
  Zr  Zr7  1  0.138197  0.423381  0.295126  1
  Zr  Zr8  1  0.140270  0.034734  0.275655  1
  Zr  Zr9  1  0.138707  0.814917  0.316394  1
  Zr  Zr10  1  0.364246  0.226398  0.284862  1
  Zr  Zr11  1  0.364446  0.009834  0.327545  1
  Zr  Zr12  1  0.363834  0.619411  0.306448  1
  Zr  Zr13  1  0.638933  0.483593  0.382513  1
  Zr  Zr14  1  0.638660  0.093920  0.359568  1
  Zr  Zr15  1  0.638230  0.703707  0.337439  1
  Zr  Zr16  1  0.863347  0.678964  0.393503  1
  Zr  Zr17  1  0.864031  0.288452  0.370370  1
  Zr  Zr18  1  0.864151  0.898597  0.348234  1
  Zr  Zr19  1  0.138660  0.593920  0.359568  1
  Zr  Zr20  1  0.138230  0.203707  0.337439  1
  Zr  Zr21  1  0.138933  0.983593  0.382513  1
  Zr  Zr22  1  0.364151  0.398597  0.348234  1
  Zr  Zr23  1  0.363347  0.178964  0.393503  1
  Zr  Zr24  1  0.364031  0.788452  0.370370  1
  Zr  Zr25  1  0.639140  0.655674  0.449340  1
  Zr  Zr26  1  0.639617  0.265188  0.426981  1
  Zr  Zr27  1  0.639327  0.874447  0.404490  1
  Zr  Zr28  1  0.863485  0.850877  0.460359  1
  Zr  Zr29  1  0.863514  0.460475  0.438308  1
  Zr  Zr30  1  0.863134  0.069960  0.415947  1
  Zr  Zr31  1  0.139617  0.765188  0.426981  1
  Zr  Zr32  1  0.139327  0.374447  0.404490  1
  Zr  Zr33  1  0.139140  0.155674  0.449340  1
  Zr  Zr34  1  0.363134  0.569960  0.415947  1
  Zr  Zr35  1  0.363485  0.350877  0.460359  1
  Zr  Zr36  1  0.363514  0.960475  0.438308  1
  Zr  Zr37  1  0.639068  0.827169  0.516099  1
  Zr  Zr38  1  0.638987  0.436650  0.493859  1
  Zr  Zr39  1  0.639113  0.046162  0.471566  1
  Zr  Zr40  1  0.863584  0.022406  0.527217  1
  Zr  Zr41  1  0.863710  0.631918  0.504924  1
  Zr  Zr42  1  0.863629  0.241399  0.482685  1
  Zr  Zr43  1  0.138987  0.936650  0.493859  1
  Zr  Zr44  1  0.139113  0.546162  0.471566  1
  Zr  Zr45  1  0.139068  0.327169  0.516099  1
  Zr  Zr46  1  0.363629  0.741399  0.482685  1
  Zr  Zr47  1  0.363584  0.522406  0.527217  1
  Zr  Zr48  1  0.363710  0.131918  0.504924  1
  Zr  Zr49  1  0.639563  0.998608  0.582836  1
  Zr  Zr50  1  0.639183  0.608093  0.560475  1
  Zr  Zr51  1  0.639212  0.217691  0.538424  1
  Zr  Zr52  1  0.863370  0.194121  0.594293  1
  Zr  Zr53  1  0.863080  0.803380  0.571803  1
  Zr  Zr54  1  0.863557  0.412894  0.549443  1
  Zr  Zr55  1  0.139183  0.108093  0.560475  1
  Zr  Zr56  1  0.139212  0.717691  0.538424  1
  Zr  Zr57  1  0.139563  0.498608  0.582836  1
  Zr  Zr58  1  0.363557  0.912894  0.549443  1
  Zr  Zr59  1  0.363370  0.694121  0.594293  1
  Zr  Zr60  1  0.363080  0.303380  0.571803  1
  Zr  Zr61  1  0.638546  0.169971  0.650549  1
  Zr  Zr62  1  0.638666  0.780116  0.628413  1
  Zr  Zr63  1  0.639350  0.389604  0.605280  1
  Zr  Zr64  1  0.864467  0.364861  0.661344  1
  Zr  Zr65  1  0.864037  0.974648  0.639215  1
  Zr  Zr66  1  0.863764  0.584974  0.616271  1
  Zr  Zr67  1  0.138666  0.280116  0.628413  1
  Zr  Zr68  1  0.139350  0.889604  0.605280  1
  Zr  Zr69  1  0.138546  0.669971  0.650549  1
  Zr  Zr70  1  0.363764  0.084974  0.616271  1
  Zr  Zr71  1  0.364467  0.864861  0.661344  1
  Zr  Zr72  1  0.364037  0.474648  0.639215  1
  Zr  Zr73  1  0.638451  0.342170  0.713921  1
  Zr  Zr74  1  0.638863  0.949157  0.692336  1
  Zr  Zr75  1  0.638251  0.558733  0.671238  1
  Zr  Zr76  1  0.862427  0.533834  0.723128  1
  Zr  Zr77  1  0.864499  0.145187  0.703658  1
  Zr  Zr78  1  0.863990  0.753651  0.682389  1
  Zr  Zr79  1  0.138863  0.449157  0.692336  1
  Zr  Zr80  1  0.138251  0.058733  0.671238  1
  Zr  Zr81  1  0.138451  0.842170  0.713921  1
  Zr  Zr82  1  0.363990  0.253651  0.682389  1
  Zr  Zr83  1  0.362427  0.033834  0.723128  1
  Zr  Zr84  1  0.364499  0.645187  0.703658  1
  Ni  Ni85  1  0.921559  0.316114  0.313818  1
  Ni  Ni86  1  0.922520  0.923080  0.292290  1
  Ni  Ni87  1  0.919453  0.527288  0.271991  1
  Ni  Ni88  1  0.578128  0.508123  0.327162  1
  Ni  Ni89  1  0.581832  0.118198  0.303700  1
  Ni  Ni90  1  0.581985  0.726557  0.281677  1
  Ni  Ni91  1  0.422520  0.423080  0.292290  1
  Ni  Ni92  1  0.419453  0.027288  0.271991  1
  Ni  Ni93  1  0.421559  0.816114  0.313818  1
  Ni  Ni94  1  0.081985  0.226557  0.281677  1
  Ni  Ni95  1  0.078128  0.008123  0.327162  1
  Ni  Ni96  1  0.081832  0.618198  0.303700  1
  Ni  Ni97  1  0.922167  0.482995  0.383009  1
  Ni  Ni98  1  0.920963  0.093494  0.360771  1
  Ni  Ni99  1  0.924511  0.703799  0.337922  1
  Ni  Ni100  1  0.581004  0.679050  0.393784  1
  Ni  Ni101  1  0.581324  0.288579  0.371523  1
  Ni  Ni102  1  0.580018  0.898200  0.348921  1
  Ni  Ni103  1  0.420963  0.593494  0.360771  1
  Ni  Ni104  1  0.424511  0.203799  0.337922  1
  Ni  Ni105  1  0.422167  0.982995  0.383009  1
  Ni  Ni106  1  0.080018  0.398200  0.348921  1
  Ni  Ni107  1  0.081004  0.179050  0.393784  1
  Ni  Ni108  1  0.081324  0.788579  0.371523  1
  Ni  Ni109  1  0.922193  0.655787  0.449165  1
  Ni  Ni110  1  0.921977  0.265527  0.426669  1
  Ni  Ni111  1  0.921794  0.874505  0.404583  1
  Ni  Ni112  1  0.580592  0.850878  0.460266  1
  Ni  Ni113  1  0.580405  0.460389  0.438092  1
  Ni  Ni114  1  0.580943  0.070006  0.415780  1
  Ni  Ni115  1  0.421977  0.765527  0.426669  1
  Ni  Ni116  1  0.421794  0.374505  0.404583  1
  Ni  Ni117  1  0.422193  0.155787  0.449165  1
  Ni  Ni118  1  0.080943  0.570006  0.415780  1
  Ni  Ni119  1  0.080592  0.350878  0.460266  1
  Ni  Ni120  1  0.080405  0.960389  0.438092  1
  Ni  Ni121  1  0.922033  0.827150  0.516107  1
  Ni  Ni122  1  0.922147  0.436565  0.493837  1
  Ni  Ni123  1  0.921935  0.046107  0.471554  1
  Ni  Ni124  1  0.580762  0.022460  0.527229  1
  Ni  Ni125  1  0.580550  0.632003  0.504946  1
  Ni  Ni126  1  0.580664  0.241418  0.482677  1
  Ni  Ni127  1  0.422147  0.936565  0.493837  1
  Ni  Ni128  1  0.421935  0.546107  0.471554  1
  Ni  Ni129  1  0.422033  0.327150  0.516107  1
  Ni  Ni130  1  0.080664  0.741418  0.482677  1
  Ni  Ni131  1  0.080762  0.522460  0.527229  1
  Ni  Ni132  1  0.080550  0.132003  0.504946  1
  Ni  Ni133  1  0.921754  0.998562  0.583003  1
  Ni  Ni134  1  0.922292  0.608178  0.560692  1
  Ni  Ni135  1  0.922105  0.217690  0.538518  1
  Ni  Ni136  1  0.580903  0.194063  0.594200  1
  Ni  Ni137  1  0.580720  0.803041  0.572115  1
  Ni  Ni138  1  0.580504  0.412780  0.549619  1
  Ni  Ni139  1  0.422292  0.108178  0.560692  1
  Ni  Ni140  1  0.422105  0.717690  0.538518  1
  Ni  Ni141  1  0.421754  0.498562  0.583003  1
  Ni  Ni142  1  0.080504  0.912780  0.549619  1
  Ni  Ni143  1  0.080903  0.694063  0.594200  1
  Ni  Ni144  1  0.080720  0.303041  0.572115  1
  Ni  Ni145  1  0.922679  0.170368  0.649862  1
  Ni  Ni146  1  0.921373  0.779988  0.627261  1
  Ni  Ni147  1  0.921693  0.389518  0.604999  1
  Ni  Ni148  1  0.578186  0.364768  0.660861  1
  Ni  Ni149  1  0.581734  0.975074  0.638012  1
  Ni  Ni150  1  0.580530  0.585573  0.615775  1
  Ni  Ni151  1  0.421373  0.279988  0.627261  1
  Ni  Ni152  1  0.421693  0.889518  0.604999  1
  Ni  Ni153  1  0.422679  0.670368  0.649862  1
  Ni  Ni154  1  0.080530  0.085573  0.615775  1
  Ni  Ni155  1  0.078186  0.864768  0.660861  1
  Ni  Ni156  1  0.081734  0.475074  0.638012  1
  Ni  Ni157  1  0.920712  0.342011  0.717106  1
  Ni  Ni158  1  0.920865  0.950370  0.695083  1
  Ni  Ni159  1  0.924568  0.560445  0.671621  1
  Ni  Ni160  1  0.583244  0.541280  0.726792  1
  Ni  Ni161  1  0.580177  0.145488  0.706494  1
  Ni  Ni162  1  0.581138  0.752454  0.684965  1
  Ni  Ni163  1  0.420865  0.450370  0.695083  1
  Ni  Ni164  1  0.424568  0.060445  0.671621  1
  Ni  Ni165  1  0.420712  0.842011  0.717106  1
  Ni  Ni166  1  0.081138  0.252454  0.684965  1
  Ni  Ni167  1  0.083244  0.041280  0.726792  1
  Ni  Ni168  1  0.080177  0.645488  0.706494  1
