# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25148303
_cell_length_b   14.36797295
_cell_length_c   52.57229359
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr64 Ni32'
_cell_volume   3966.7460035
_cell_formula_units_Z   32
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  0.503194  0.728256  0.326721  1
  Zr  Zr2  1  0.503194  0.315129  0.280617  1
  Zr  Zr3  1  0.503194  0.919421  0.287934  1
  Zr  Zr4  1  0.503194  0.292031  0.343821  1
  Zr  Zr5  1  1.003194  0.807493  0.295318  1
  Zr  Zr6  1  0.003194  0.197794  0.352713  1
  Zr  Zr7  1  1.003194  0.759490  0.358153  1
  Zr  Zr8  1  0.003194  0.353722  0.306878  1
  Zr  Zr9  1  1.003194  0.433023  0.361400  1
  Zr  Zr10  1  0.003194  0.032017  0.305782  1
  Zr  Zr11  1  0.003194  0.591264  0.312562  1
  Zr  Zr12  1  0.003194  0.993512  0.370655  1
  Zr  Zr13  1  0.503194  0.493408  0.323729  1
  Zr  Zr14  1  0.503194  0.894010  0.378483  1
  Zr  Zr15  1  0.503194  0.462815  0.388057  1
  Zr  Zr16  1  0.503194  0.063434  0.334302  1
  Zr  Zr17  1  0.503194  0.530990  0.444251  1
  Zr  Zr18  1  0.503194  0.129085  0.390303  1
  Zr  Zr19  1  0.503194  0.692654  0.395940  1
  Zr  Zr20  1  0.503194  0.092896  0.454073  1
  Zr  Zr21  1  1.003194  0.598471  0.406379  1
  Zr  Zr22  1  1.003194  0.995367  0.462313  1
  Zr  Zr23  1  1.003194  0.560795  0.471610  1
  Zr  Zr24  1  1.003194  0.161361  0.416725  1
  Zr  Zr25  1  1.003194  0.229387  0.472929  1
  Zr  Zr26  1  1.003194  0.827428  0.415722  1
  Zr  Zr27  1  1.003194  0.395504  0.426037  1
  Zr  Zr28  1  1.003194  0.792483  0.480670  1
  Zr  Zr29  1  0.503194  0.297557  0.435764  1
  Zr  Zr30  1  0.503194  0.696733  0.490508  1
  Zr  Zr31  1  0.503194  0.260854  0.499931  1
  Zr  Zr32  1  0.503194  0.859056  0.442930  1
  Zr  Zr33  1  0.503194  0.329672  0.556478  1
  Zr  Zr34  1  0.503194  0.928004  0.499753  1
  Zr  Zr35  1  0.503194  0.492928  0.508902  1
  Zr  Zr36  1  0.503194  0.891808  0.564166  1
  Zr  Zr37  1  1.003194  0.396525  0.518751  1
  Zr  Zr38  1  1.003194  0.794305  0.573828  1
  Zr  Zr39  1  1.003194  0.361725  0.583591  1
  Zr  Zr40  1  1.003194  0.959568  0.526822  1
  Zr  Zr41  1  1.003194  0.027630  0.583238  1
  Zr  Zr42  1  1.003194  0.628948  0.527845  1
  Zr  Zr43  1  1.003194  0.193302  0.537368  1
  Zr  Zr44  1  1.003194  0.591417  0.592769  1
  Zr  Zr45  1  0.503194  0.095790  0.545739  1
  Zr  Zr46  1  0.503194  0.496750  0.602822  1
  Zr  Zr47  1  0.503194  0.060315  0.609723  1
  Zr  Zr48  1  0.503194  0.658970  0.555137  1
  Zr  Zr49  1  0.503194  0.128942  0.665593  1
  Zr  Zr50  1  0.503194  0.726725  0.611533  1
  Zr  Zr51  1  0.503194  0.295934  0.620959  1
  Zr  Zr52  1  0.503194  0.698498  0.676171  1
  Zr  Zr53  1  1.003194  0.196866  0.629019  1
  Zr  Zr54  1  1.003194  0.601326  0.686198  1
  Zr  Zr55  1  1.003194  0.162628  0.693881  1
  Zr  Zr56  1  1.003194  0.758246  0.638839  1
  Zr  Zr57  1  1.003194  0.835469  0.693475  1
  Zr  Zr58  1  1.003194  0.431295  0.640832  1
  Zr  Zr59  1  1.003194  0.993331  0.647453  1
  Zr  Zr60  1  1.003194  0.388708  0.703981  1
  Zr  Zr61  1  0.503194  0.897802  0.656398  1
  Zr  Zr62  1  0.503194  0.278216  0.711423  1
  Zr  Zr63  1  0.503194  0.877312  0.717430  1
  Zr  Zr64  1  0.503194  0.466496  0.672711  1
  Ni  Ni65  1  0.752184  0.599051  0.358717  1
  Ni  Ni66  1  0.751946  0.189314  0.307040  1
  Ni  Ni67  1  0.254204  0.599051  0.358717  1
  Ni  Ni68  1  0.254441  0.189314  0.307040  1
  Ni  Ni69  1  0.253374  0.895990  0.332557  1
  Ni  Ni70  1  0.253537  0.479291  0.278959  1
  Ni  Ni71  1  0.753013  0.895990  0.332557  1
  Ni  Ni72  1  0.752851  0.479291  0.278959  1
  Ni  Ni73  1  0.753387  0.395486  0.472254  1
  Ni  Ni74  1  0.752646  0.994081  0.416505  1
  Ni  Ni75  1  0.253000  0.395486  0.472254  1
  Ni  Ni76  1  0.253741  0.994081  0.416505  1
  Ni  Ni77  1  0.253898  0.694635  0.443676  1
  Ni  Ni78  1  0.252890  0.297485  0.390037  1
  Ni  Ni79  1  0.752489  0.694635  0.443676  1
  Ni  Ni80  1  0.753498  0.297485  0.390037  1
  Ni  Ni81  1  0.752514  0.194787  0.583178  1
  Ni  Ni82  1  0.753503  0.794052  0.527416  1
  Ni  Ni83  1  0.253873  0.194787  0.583178  1
  Ni  Ni84  1  0.252885  0.794052  0.527416  1
  Ni  Ni85  1  0.253867  0.494568  0.555475  1
  Ni  Ni86  1  0.252406  0.094402  0.499879  1
  Ni  Ni87  1  0.752520  0.494568  0.555475  1
  Ni  Ni88  1  0.753981  0.094402  0.499879  1
  Ni  Ni89  1  0.754050  1.002142  0.692823  1
  Ni  Ni90  1  0.751419  0.592695  0.640688  1
  Ni  Ni91  1  0.252337  1.002142  0.692823  1
  Ni  Ni92  1  0.254968  0.592695  0.640688  1
  Ni  Ni93  1  0.253526  0.297343  0.666883  1
  Ni  Ni94  1  0.253006  0.891965  0.610131  1
  Ni  Ni95  1  0.752861  0.297343  0.666883  1
  Ni  Ni96  1  0.753382  0.891965  0.610131  1
