# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26917724
_cell_length_b   19.43910820
_cell_length_c   54.35677558
_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   'Zr64 Ni64'
_cell_volume   4511.0143568
_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  0.750536  0.368020  0.226214  1
  Zr  Zr2  1  0.750536  0.827899  0.264000  1
  Zr  Zr3  1  0.250536  0.254784  0.218990  1
  Zr  Zr4  1  0.250536  0.713041  0.252280  1
  Zr  Zr5  1  0.750536  0.599935  0.241561  1
  Zr  Zr6  1  0.750536  0.088858  0.261717  1
  Zr  Zr7  1  0.250536  0.485869  0.233811  1
  Zr  Zr8  1  0.250536  0.962785  0.267579  1
  Zr  Zr9  1  0.750536  0.329928  0.282101  1
  Zr  Zr10  1  0.750536  0.796801  0.318771  1
  Zr  Zr11  1  0.250536  0.221921  0.275036  1
  Zr  Zr12  1  0.250536  0.686684  0.309372  1
  Zr  Zr13  1  0.750536  0.563847  0.299559  1
  Zr  Zr14  1  0.750536  1.054712  0.319890  1
  Zr  Zr15  1  0.250536  0.452963  0.291183  1
  Zr  Zr16  1  0.250536  0.928525  0.327087  1
  Zr  Zr17  1  0.750536  0.290589  0.338287  1
  Zr  Zr18  1  0.750536  0.758691  0.374368  1
  Zr  Zr19  1  0.250536  0.181507  0.331067  1
  Zr  Zr20  1  0.250536  0.651057  0.365259  1
  Zr  Zr21  1  0.750536  0.526702  0.356035  1
  Zr  Zr22  1  0.750536  1.015690  0.379297  1
  Zr  Zr23  1  0.250536  0.416676  0.347591  1
  Zr  Zr24  1  0.250536  0.889348  0.384858  1
  Zr  Zr25  1  0.750536  0.255456  0.393588  1
  Zr  Zr26  1  0.750536  0.719250  0.430604  1
  Zr  Zr27  1  0.250536  0.140985  0.390536  1
  Zr  Zr28  1  0.250536  0.612372  0.421675  1
  Zr  Zr29  1  0.750536  0.488624  0.412420  1
  Zr  Zr30  1  0.750536  0.970301  0.439258  1
  Zr  Zr31  1  0.250536  0.379961  0.403701  1
  Zr  Zr32  1  0.250536  0.846302  0.441046  1
  Zr  Zr33  1  0.750536  0.215273  0.449557  1
  Zr  Zr34  1  0.750536  0.681614  0.486902  1
  Zr  Zr35  1  0.250536  0.091275  0.451346  1
  Zr  Zr36  1  0.250536  0.572951  0.478183  1
  Zr  Zr37  1  0.750536  0.449204  0.468928  1
  Zr  Zr38  1  0.750536  0.920590  0.500068  1
  Zr  Zr39  1  0.250536  0.342325  0.460000  1
  Zr  Zr40  1  0.250536  0.806119  0.497015  1
  Zr  Zr41  1  0.750536  0.172227  0.505746  1
  Zr  Zr42  1  0.750536  0.644900  0.543013  1
  Zr  Zr43  1  0.250536  1.045885  0.511306  1
  Zr  Zr44  1  0.250536  0.534874  0.534569  1
  Zr  Zr45  1  0.750536  0.410519  0.525344  1
  Zr  Zr46  1  0.750536  0.880068  0.559537  1
  Zr  Zr47  1  0.250536  0.302885  0.516236  1
  Zr  Zr48  1  0.250536  0.770986  0.552317  1
  Zr  Zr49  1  0.750536  0.133051  0.563517  1
  Zr  Zr50  1  0.750536  0.608613  0.599420  1
  Zr  Zr51  1  0.250536  1.006863  0.570714  1
  Zr  Zr52  1  0.250536  0.497728  0.591045  1
  Zr  Zr53  1  0.750536  0.374892  0.581231  1
  Zr  Zr54  1  0.750536  0.839655  0.615567  1
  Zr  Zr55  1  0.250536  0.264775  0.571832  1
  Zr  Zr56  1  0.250536  0.731648  0.608503  1
  Zr  Zr57  1  0.750536  0.098791  0.623024  1
  Zr  Zr58  1  0.750536  0.575707  0.656793  1
  Zr  Zr59  1  0.250536  0.972717  0.628887  1
  Zr  Zr60  1  0.250536  0.461640  0.649043  1
  Zr  Zr61  1  0.750536  0.348535  0.638323  1
  Zr  Zr62  1  0.750536  0.806791  0.671614  1
  Zr  Zr63  1  0.250536  0.233677  0.626604  1
  Zr  Zr64  1  0.250536  0.693556  0.664390  1
  Ni  Ni65  1  0.750536  0.223107  0.246167  1
  Ni  Ni66  1  0.750536  0.752884  0.226477  1
  Ni  Ni67  1  0.250536  0.357415  0.255087  1
  Ni  Ni68  1  0.250536  0.845956  0.236207  1
  Ni  Ni69  1  0.750536  0.465058  0.263009  1
  Ni  Ni70  1  0.750536  0.937186  0.238327  1
  Ni  Ni71  1  0.250536  0.583118  0.272053  1
  Ni  Ni72  1  0.250536  0.133027  0.239691  1
  Ni  Ni73  1  0.750536  0.184571  0.299884  1
  Ni  Ni74  1  0.750536  0.689851  0.280184  1
  Ni  Ni75  1  0.250536  0.325046  0.311392  1
  Ni  Ni76  1  0.250536  0.830671  0.291112  1
  Ni  Ni77  1  0.750536  0.424588  0.319115  1
  Ni  Ni78  1  0.750536  0.925526  0.296262  1
  Ni  Ni79  1  0.250536  0.553697  0.328536  1
  Ni  Ni80  1  0.250536  0.094301  0.292218  1
  Ni  Ni81  1  0.750536  0.146954  0.358873  1
  Ni  Ni82  1  0.750536  0.655531  0.336641  1
  Ni  Ni83  1  0.250536  0.287111  0.366989  1
  Ni  Ni84  1  0.250536  0.794883  0.347210  1
  Ni  Ni85  1  0.750536  0.389250  0.374766  1
  Ni  Ni86  1  0.750536  0.885981  0.354728  1
  Ni  Ni87  1  0.250536  0.519573  0.384626  1
  Ni  Ni88  1  0.250536  1.057397  0.351384  1
  Ni  Ni89  1  0.750536  0.101574  0.418864  1
  Ni  Ni90  1  0.750536  0.618283  0.392944  1
  Ni  Ni91  1  0.250536  0.251836  0.423086  1
  Ni  Ni92  1  0.250536  0.753961  0.403080  1
  Ni  Ni93  1  0.750536  0.349879  0.430975  1
  Ni  Ni94  1  0.750536  0.846837  0.411292  1
  Ni  Ni95  1  0.250536  0.482018  0.440985  1
  Ni  Ni96  1  0.250536  1.015373  0.410599  1
  Ni  Ni97  1  0.750536  1.046202  0.480004  1
  Ni  Ni98  1  0.750536  0.579557  0.449619  1
  Ni  Ni99  1  0.250536  0.214739  0.479311  1
  Ni  Ni100  1  0.250536  0.711696  0.459628  1
  Ni  Ni101  1  0.750536  0.307615  0.487524  1
  Ni  Ni102  1  0.750536  0.809740  0.467518  1
  Ni  Ni103  1  0.250536  0.443292  0.497660  1
  Ni  Ni104  1  0.250536  0.960001  0.471740  1
  Ni  Ni105  1  0.750536  1.004179  0.539220  1
  Ni  Ni106  1  0.750536  0.542003  0.505978  1
  Ni  Ni107  1  0.250536  0.175594  0.535876  1
  Ni  Ni108  1  0.250536  0.672325  0.515838  1
  Ni  Ni109  1  0.750536  0.266693  0.543393  1
  Ni  Ni110  1  0.750536  0.774465  0.523615  1
  Ni  Ni111  1  0.250536  0.406045  0.553962  1
  Ni  Ni112  1  0.250536  0.914622  0.531731  1
  Ni  Ni113  1  0.750536  0.967274  0.598385  1
  Ni  Ni114  1  0.750536  0.507879  0.562067  1
  Ni  Ni115  1  0.250536  0.136050  0.594342  1
  Ni  Ni116  1  0.250536  0.636988  0.571488  1
  Ni  Ni117  1  0.750536  0.230904  0.599492  1
  Ni  Ni118  1  0.750536  0.736529  0.579211  1
  Ni  Ni119  1  0.250536  0.371724  0.610419  1
  Ni  Ni120  1  0.250536  0.877004  0.590720  1
  Ni  Ni121  1  0.750536  0.928548  0.650913  1
  Ni  Ni122  1  0.750536  0.478458  0.618551  1
  Ni  Ni123  1  0.250536  0.124390  0.652276  1
  Ni  Ni124  1  0.250536  0.596517  0.627594  1
  Ni  Ni125  1  0.750536  0.215620  0.654396  1
  Ni  Ni126  1  0.750536  0.704160  0.635516  1
  Ni  Ni127  1  0.250536  0.308691  0.664127  1
  Ni  Ni128  1  0.250536  0.838469  0.644436  1
