# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.78262349
_cell_length_b   5.31045888
_cell_length_c   45.97685759
_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   'Zr32 Ni32'
_cell_volume   2388.50785661
_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  0.638732  0.404942  0.288791  1
  Zr  Zr2  1  0.869014  0.904942  0.288791  1
  Zr  Zr3  1  0.147956  0.238316  0.314569  1
  Zr  Zr4  1  0.359790  0.738316  0.314569  1
  Zr  Zr5  1  0.651127  0.079635  0.344906  1
  Zr  Zr6  1  0.856620  0.579635  0.344906  1
  Zr  Zr7  1  0.141847  0.898461  0.371363  1
  Zr  Zr8  1  0.365899  0.398461  0.371363  1
  Zr  Zr9  1  0.636756  0.699452  0.400039  1
  Zr  Zr10  1  0.870991  0.199452  0.400039  1
  Zr  Zr11  1  0.141918  0.510614  0.427074  1
  Zr  Zr12  1  0.365829  0.010614  0.427074  1
  Zr  Zr13  1  0.643301  0.332475  0.455896  1
  Zr  Zr14  1  0.864446  0.832475  0.455896  1
  Zr  Zr15  1  0.142982  0.158988  0.483447  1
  Zr  Zr16  1  0.364765  0.658988  0.483447  1
  Zr  Zr17  1  0.642982  0.980358  0.511239  1
  Zr  Zr18  1  0.864765  0.480358  0.511239  1
  Zr  Zr19  1  0.143301  0.806871  0.538791  1
  Zr  Zr20  1  0.364446  0.306871  0.538791  1
  Zr  Zr21  1  0.641918  0.628732  0.567612  1
  Zr  Zr22  1  0.865829  0.128732  0.567612  1
  Zr  Zr23  1  0.136756  0.439894  0.594648  1
  Zr  Zr24  1  0.370991  0.939894  0.594648  1
  Zr  Zr25  1  0.641847  0.240885  0.623323  1
  Zr  Zr26  1  0.865899  0.740885  0.623323  1
  Zr  Zr27  1  0.151127  0.059711  0.649780  1
  Zr  Zr28  1  0.356620  0.559711  0.649780  1
  Zr  Zr29  1  0.647956  0.901029  0.680117  1
  Zr  Zr30  1  0.859790  0.401029  0.680117  1
  Zr  Zr31  1  0.138732  0.734404  0.705895  1
  Zr  Zr32  1  0.369014  0.234404  0.705895  1
  Ni  Ni33  1  0.912430  0.392469  0.294763  1
  Ni  Ni34  1  0.595317  0.892469  0.294763  1
  Ni  Ni35  1  0.424362  0.220080  0.318851  1
  Ni  Ni36  1  0.083385  0.720080  0.318851  1
  Ni  Ni37  1  0.927726  0.083433  0.341008  1
  Ni  Ni38  1  0.580021  0.583433  0.341008  1
  Ni  Ni39  1  0.422470  0.907550  0.367781  1
  Ni  Ni40  1  0.085277  0.407550  0.367781  1
  Ni  Ni41  1  0.922984  0.699019  0.400351  1
  Ni  Ni42  1  0.584762  0.199019  0.400351  1
  Ni  Ni43  1  0.422114  0.503096  0.429573  1
  Ni  Ni44  1  0.085632  0.003096  0.429573  1
  Ni  Ni45  1  0.923908  0.333312  0.455930  1
  Ni  Ni46  1  0.583839  0.833312  0.455930  1
  Ni  Ni47  1  0.423184  0.158592  0.483242  1
  Ni  Ni48  1  0.084563  0.658592  0.483242  1
  Ni  Ni49  1  0.923184  0.980754  0.511445  1
  Ni  Ni50  1  0.584563  0.480754  0.511445  1
  Ni  Ni51  1  0.423908  0.806034  0.538757  1
  Ni  Ni52  1  0.083839  0.306034  0.538757  1
  Ni  Ni53  1  0.922114  0.636250  0.565113  1
  Ni  Ni54  1  0.585632  0.136250  0.565113  1
  Ni  Ni55  1  0.422984  0.440326  0.594335  1
  Ni  Ni56  1  0.084762  0.940326  0.594335  1
  Ni  Ni57  1  0.922470  0.231796  0.626906  1
  Ni  Ni58  1  0.585277  0.731796  0.626906  1
  Ni  Ni59  1  0.427726  0.055913  0.653679  1
  Ni  Ni60  1  0.080021  0.555913  0.653679  1
  Ni  Ni61  1  0.924362  0.919266  0.675835  1
  Ni  Ni62  1  0.583385  0.419266  0.675835  1
  Ni  Ni63  1  0.412430  0.746877  0.699924  1
  Ni  Ni64  1  0.095317  0.246877  0.699924  1
