# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42456897
_cell_length_b   8.28651149
_cell_length_c   49.50792323
_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   'Zr40 Ni20'
_cell_volume   2635.66640739
_cell_formula_units_Z   20
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  0.322887  0.698594  0.313561  1
  Zr  Zr2  1  0.169299  0.404758  0.356475  1
  Zr  Zr3  1  0.331384  0.287145  0.302343  1
  Zr  Zr4  1  0.169158  1.000484  0.342850  1
  Zr  Zr5  1  0.822887  0.198594  0.313561  1
  Zr  Zr6  1  0.669299  0.904758  0.356475  1
  Zr  Zr7  1  0.831384  0.787145  0.302343  1
  Zr  Zr8  1  0.669158  0.500484  0.342850  1
  Zr  Zr9  1  0.333174  0.107867  0.398452  1
  Zr  Zr10  1  0.173838  0.807553  0.440073  1
  Zr  Zr11  1  0.333090  0.703596  0.384594  1
  Zr  Zr12  1  0.173031  0.404601  0.426539  1
  Zr  Zr13  1  0.833174  0.607867  0.398452  1
  Zr  Zr14  1  0.673838  0.307553  0.440073  1
  Zr  Zr15  1  0.833090  0.203596  0.384594  1
  Zr  Zr16  1  0.673031  0.904601  0.426539  1
  Zr  Zr17  1  0.333122  0.507585  0.481830  1
  Zr  Zr18  1  0.173510  0.207551  0.523585  1
  Zr  Zr19  1  0.333258  0.104669  0.468392  1
  Zr  Zr20  1  0.173646  0.804635  0.510147  1
  Zr  Zr21  1  0.833122  0.007585  0.481830  1
  Zr  Zr22  1  0.673510  0.707551  0.523585  1
  Zr  Zr23  1  0.833258  0.604669  0.468392  1
  Zr  Zr24  1  0.673646  0.304635  0.510147  1
  Zr  Zr25  1  0.333737  0.907619  0.565438  1
  Zr  Zr26  1  0.173678  0.608624  0.607382  1
  Zr  Zr27  1  0.332930  0.504667  0.551904  1
  Zr  Zr28  1  0.173594  0.204353  0.593525  1
  Zr  Zr29  1  0.833737  0.407619  0.565438  1
  Zr  Zr30  1  0.673678  0.108624  0.607382  1
  Zr  Zr31  1  0.832930  0.004667  0.551904  1
  Zr  Zr32  1  0.673594  0.704353  0.593525  1
  Zr  Zr33  1  0.337610  0.311736  0.649127  1
  Zr  Zr34  1  0.175385  0.025075  0.689634  1
  Zr  Zr35  1  0.337469  0.907462  0.635502  1
  Zr  Zr36  1  0.183881  0.613626  0.678415  1
  Zr  Zr37  1  0.837610  0.811736  0.649127  1
  Zr  Zr38  1  0.675385  0.525075  0.689634  1
  Zr  Zr39  1  0.837469  0.407462  0.635502  1
  Zr  Zr40  1  0.683881  0.113626  0.678415  1
  Ni  Ni41  1  0.503413  0.205691  0.350404  1
  Ni  Ni42  1  0.504435  0.996604  0.310375  1
  Ni  Ni43  1  0.003413  0.705691  0.350404  1
  Ni  Ni44  1  0.004435  0.496604  0.310375  1
  Ni  Ni45  1  0.503267  0.606760  0.433526  1
  Ni  Ni46  1  0.504585  0.407599  0.392135  1
  Ni  Ni47  1  1.003267  0.106760  0.433526  1
  Ni  Ni48  1  0.004585  0.907599  0.392135  1
  Ni  Ni49  1  0.503484  0.005936  0.516820  1
  Ni  Ni50  1  0.503284  0.806284  0.475156  1
  Ni  Ni51  1  0.003484  0.505936  0.516820  1
  Ni  Ni52  1  1.003284  0.306284  0.475156  1
  Ni  Ni53  1  0.502183  0.404621  0.599842  1
  Ni  Ni54  1  0.503501  0.205460  0.558451  1
  Ni  Ni55  1  1.002183  0.904621  0.599842  1
  Ni  Ni56  1  0.003501  0.705460  0.558451  1
  Ni  Ni57  1  0.502333  0.815616  0.681601  1
  Ni  Ni58  1  0.503355  0.606529  0.641573  1
  Ni  Ni59  1  1.002333  0.315616  0.681601  1
  Ni  Ni60  1  1.003355  0.106529  0.641573  1
