# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99841984
_cell_length_b   9.91568084
_cell_length_c   54.66305723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr40 Ni80'
_cell_volume   3793.29352631
_cell_formula_units_Z   40
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  0.251161  0.917275  0.332661  1
  Zr  Zr2  1  0.001918  0.667275  0.332661  1
  Zr  Zr3  1  0.760957  0.667275  0.288567  1
  Zr  Zr4  1  0.492123  0.417275  0.288567  1
  Zr  Zr5  1  0.760957  0.167275  0.288567  1
  Zr  Zr6  1  0.492123  0.917275  0.288567  1
  Zr  Zr7  1  0.251161  0.417275  0.332661  1
  Zr  Zr8  1  0.001918  0.167275  0.332661  1
  Zr  Zr9  1  0.251681  0.417275  0.423596  1
  Zr  Zr10  1  1.001399  0.167275  0.423596  1
  Zr  Zr11  1  0.751747  0.167275  0.378176  1
  Zr  Zr12  1  0.501333  0.917275  0.378176  1
  Zr  Zr13  1  0.751747  0.667275  0.378176  1
  Zr  Zr14  1  0.501333  0.417275  0.378176  1
  Zr  Zr15  1  0.251681  0.917275  0.423596  1
  Zr  Zr16  1  1.001399  0.667275  0.423596  1
  Zr  Zr17  1  0.251711  0.917275  0.514612  1
  Zr  Zr18  1  1.001369  0.667275  0.514612  1
  Zr  Zr19  1  0.751704  0.667275  0.469120  1
  Zr  Zr20  1  0.501376  0.417275  0.469120  1
  Zr  Zr21  1  0.751704  0.167275  0.469120  1
  Zr  Zr22  1  0.501376  0.917275  0.469120  1
  Zr  Zr23  1  0.251711  0.417275  0.514612  1
  Zr  Zr24  1  1.001369  0.167275  0.514612  1
  Zr  Zr25  1  0.251480  0.417275  0.605641  1
  Zr  Zr26  1  0.001600  0.167275  0.605641  1
  Zr  Zr27  1  0.751776  0.167275  0.560145  1
  Zr  Zr28  1  0.501304  0.917275  0.560145  1
  Zr  Zr29  1  0.751776  0.667275  0.560145  1
  Zr  Zr30  1  0.501304  0.417275  0.560145  1
  Zr  Zr31  1  0.251480  0.917275  0.605641  1
  Zr  Zr32  1  0.001600  0.667275  0.605641  1
  Zr  Zr33  1  0.260736  0.917275  0.696556  1
  Zr  Zr34  1  0.992344  0.667275  0.696556  1
  Zr  Zr35  1  0.751305  0.667275  0.650928  1
  Zr  Zr36  1  0.501775  0.417275  0.650928  1
  Zr  Zr37  1  0.751305  0.167275  0.650928  1
  Zr  Zr38  1  0.501775  0.917275  0.650928  1
  Zr  Zr39  1  0.260736  0.417275  0.696556  1
  Zr  Zr40  1  0.992344  0.167275  0.696556  1
  Ni  Ni41  1  0.875416  0.917275  0.355279  1
  Ni  Ni42  1  0.626540  0.042275  0.332249  1
  Ni  Ni43  1  0.626540  0.792275  0.332249  1
  Ni  Ni44  1  0.872151  0.917275  0.308834  1
  Ni  Ni45  1  0.380928  0.667275  0.308834  1
  Ni  Ni46  1  0.126540  0.792275  0.288004  1
  Ni  Ni47  1  0.126540  0.542275  0.288004  1
  Ni  Ni48  1  0.377664  0.167275  0.355279  1
  Ni  Ni49  1  0.380928  0.167275  0.308834  1
  Ni  Ni50  1  0.126540  0.292275  0.288004  1
  Ni  Ni51  1  0.126540  0.042275  0.288004  1
  Ni  Ni52  1  0.377664  0.667275  0.355279  1
  Ni  Ni53  1  0.875416  0.417275  0.355279  1
  Ni  Ni54  1  0.626540  0.542275  0.332249  1
  Ni  Ni55  1  0.626540  0.292275  0.332249  1
  Ni  Ni56  1  0.872151  0.417275  0.308834  1
  Ni  Ni57  1  0.876552  0.417275  0.446377  1
  Ni  Ni58  1  0.626540  0.542275  0.423630  1
  Ni  Ni59  1  0.626540  0.292275  0.423630  1
  Ni  Ni60  1  0.876473  0.417275  0.400885  1
  Ni  Ni61  1  0.376607  0.167275  0.400885  1
  Ni  Ni62  1  0.126540  0.292275  0.378199  1
  Ni  Ni63  1  0.126540  0.042275  0.378199  1
  Ni  Ni64  1  0.376528  0.667275  0.446377  1
  Ni  Ni65  1  0.376607  0.667275  0.400885  1
  Ni  Ni66  1  0.126540  0.792275  0.378199  1
  Ni  Ni67  1  0.126540  0.542275  0.378199  1
  Ni  Ni68  1  0.376528  0.167275  0.446377  1
  Ni  Ni69  1  0.876552  0.917275  0.446377  1
  Ni  Ni70  1  0.626540  0.042275  0.423630  1
  Ni  Ni71  1  0.626540  0.792275  0.423630  1
  Ni  Ni72  1  0.876473  0.917275  0.400885  1
  Ni  Ni73  1  0.876533  0.917275  0.537359  1
  Ni  Ni74  1  0.626540  0.042275  0.514625  1
  Ni  Ni75  1  0.626540  0.792275  0.514625  1
  Ni  Ni76  1  0.876527  0.917275  0.491870  1
  Ni  Ni77  1  0.376553  0.667275  0.491870  1
  Ni  Ni78  1  0.126540  0.792275  0.469121  1
  Ni  Ni79  1  0.126540  0.542275  0.469121  1
  Ni  Ni80  1  0.376547  0.167275  0.537359  1
  Ni  Ni81  1  0.376553  0.167275  0.491870  1
  Ni  Ni82  1  0.126540  0.292275  0.469121  1
  Ni  Ni83  1  0.126540  0.042275  0.469121  1
  Ni  Ni84  1  0.376547  0.667275  0.537359  1
  Ni  Ni85  1  0.876533  0.417275  0.537359  1
  Ni  Ni86  1  0.626540  0.542275  0.514625  1
  Ni  Ni87  1  0.626540  0.292275  0.514625  1
  Ni  Ni88  1  0.876527  0.417275  0.491870  1
  Ni  Ni89  1  0.878307  0.417275  0.628265  1
  Ni  Ni90  1  0.626540  0.542275  0.605572  1
  Ni  Ni91  1  0.626540  0.292275  0.605572  1
  Ni  Ni92  1  0.876627  0.417275  0.582838  1
  Ni  Ni93  1  0.376453  0.167275  0.582838  1
  Ni  Ni94  1  0.126540  0.292275  0.560105  1
  Ni  Ni95  1  0.126540  0.042275  0.560105  1
  Ni  Ni96  1  0.374773  0.667275  0.628265  1
  Ni  Ni97  1  0.376453  0.667275  0.582838  1
  Ni  Ni98  1  0.126540  0.792275  0.560105  1
  Ni  Ni99  1  0.126540  0.542275  0.560105  1
  Ni  Ni100  1  0.374773  0.167275  0.628265  1
  Ni  Ni101  1  0.878307  0.917275  0.628265  1
  Ni  Ni102  1  0.626540  0.042275  0.605572  1
  Ni  Ni103  1  0.626540  0.792275  0.605572  1
  Ni  Ni104  1  0.876627  0.917275  0.582838  1
  Ni  Ni105  1  0.896129  0.917275  0.718248  1
  Ni  Ni106  1  0.626540  0.042275  0.696195  1
  Ni  Ni107  1  0.626540  0.792275  0.696195  1
  Ni  Ni108  1  0.878421  0.917275  0.674129  1
  Ni  Ni109  1  0.374659  0.667275  0.674129  1
  Ni  Ni110  1  0.126540  0.792275  0.651619  1
  Ni  Ni111  1  0.126540  0.542275  0.651619  1
  Ni  Ni112  1  0.356951  0.167275  0.718248  1
  Ni  Ni113  1  0.374659  0.167275  0.674129  1
  Ni  Ni114  1  0.126540  0.292275  0.651619  1
  Ni  Ni115  1  0.126540  0.042275  0.651619  1
  Ni  Ni116  1  0.356951  0.667275  0.718248  1
  Ni  Ni117  1  0.896129  0.417275  0.718248  1
  Ni  Ni118  1  0.626540  0.542275  0.696195  1
  Ni  Ni119  1  0.626540  0.292275  0.696195  1
  Ni  Ni120  1  0.878421  0.417275  0.674129  1
