# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13929783
_cell_length_b   16.12871550
_cell_length_c   54.90029599
_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   'Zr36 Ni36'
_cell_volume   2779.75798617
_cell_formula_units_Z   36
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  1.003243  0.490283  0.418906  1
  Zr  Zr2  1  1.003243  0.280482  0.371046  1
  Zr  Zr3  1  1.003243  0.070425  0.324016  1
  Zr  Zr4  1  0.503243  0.468238  0.363217  1
  Zr  Zr5  1  0.503243  0.258230  0.316182  1
  Zr  Zr6  1  0.503243  0.677837  0.410605  1
  Zr  Zr7  1  0.503243  0.677374  0.347039  1
  Zr  Zr8  1  0.503243  0.465442  0.300682  1
  Zr  Zr9  1  0.503243  0.885864  0.395061  1
  Zr  Zr10  1  1.003243  0.652085  0.293721  1
  Zr  Zr11  1  1.003243  0.072994  0.386803  1
  Zr  Zr12  1  1.003243  0.863663  0.339520  1
  Zr  Zr13  1  1.003243  0.119451  0.561986  1
  Zr  Zr14  1  1.003243  0.909668  0.514239  1
  Zr  Zr15  1  1.003243  0.700033  0.466516  1
  Zr  Zr16  1  0.503243  0.097039  0.506099  1
  Zr  Zr17  1  0.503243  0.887423  0.458423  1
  Zr  Zr18  1  0.503243  0.306612  0.553802  1
  Zr  Zr19  1  0.503243  0.304850  0.490372  1
  Zr  Zr20  1  0.503243  0.095278  0.442668  1
  Zr  Zr21  1  0.503243  0.514466  0.538047  1
  Zr  Zr22  1  1.003243  0.282438  0.434485  1
  Zr  Zr23  1  1.003243  0.701857  0.529955  1
  Zr  Zr24  1  1.003243  0.492222  0.482232  1
  Zr  Zr25  1  1.003243  0.749805  0.702749  1
  Zr  Zr26  1  1.003243  0.538227  0.656950  1
  Zr  Zr27  1  1.003243  0.328896  0.609668  1
  Zr  Zr28  1  0.503243  0.724515  0.649431  1
  Zr  Zr29  1  0.503243  0.516026  0.601410  1
  Zr  Zr30  1  0.503243  0.936448  0.695789  1
  Zr  Zr31  1  0.503243  0.933652  0.633253  1
  Zr  Zr32  1  0.503243  0.724052  0.585866  1
  Zr  Zr33  1  0.503243  0.143660  0.680289  1
  Zr  Zr34  1  1.003243  0.911607  0.577565  1
  Zr  Zr35  1  1.003243  0.331464  0.672454  1
  Zr  Zr36  1  1.003243  0.121407  0.625425  1
  Ni  Ni37  1  1.003243  0.594388  0.378746  1
  Ni  Ni38  1  1.003243  0.383695  0.330841  1
  Ni  Ni39  1  1.003243  0.803960  0.426354  1
  Ni  Ni40  1  0.503243  0.364165  0.403234  1
  Ni  Ni41  1  0.503243  0.154402  0.355084  1
  Ni  Ni42  1  0.503243  0.944235  0.307924  1
  Ni  Ni43  1  0.503243  0.783001  0.306473  1
  Ni  Ni44  1  0.503243  0.199045  0.402404  1
  Ni  Ni45  1  0.503243  0.989753  0.354479  1
  Ni  Ni46  1  1.003243  0.549568  0.331615  1
  Ni  Ni47  1  1.003243  0.341036  0.284517  1
  Ni  Ni48  1  1.003243  0.759576  0.379449  1
  Ni  Ni49  1  1.003243  0.223151  0.521712  1
  Ni  Ni50  1  1.003243  0.013582  0.474027  1
  Ni  Ni51  1  1.003243  0.432723  0.569358  1
  Ni  Ni52  1  0.503243  0.993340  0.546268  1
  Ni  Ni53  1  0.503243  0.783527  0.498623  1
  Ni  Ni54  1  0.503243  0.573933  0.450870  1
  Ni  Ni55  1  0.503243  0.408550  0.450202  1
  Ni  Ni56  1  0.503243  0.827956  0.545601  1
  Ni  Ni57  1  0.503243  0.618362  0.497848  1
  Ni  Ni58  1  1.003243  0.178738  0.474759  1
  Ni  Ni59  1  1.003243  0.969166  0.427113  1
  Ni  Ni60  1  1.003243  0.388307  0.522443  1
  Ni  Ni61  1  1.003243  0.852322  0.664855  1
  Ni  Ni62  1  1.003243  0.642313  0.617022  1
  Ni  Ni63  1  1.003243  0.060853  0.711953  1
  Ni  Ni64  1  0.503243  0.618888  0.689997  1
  Ni  Ni65  1  0.503243  0.412136  0.641991  1
  Ni  Ni66  1  0.503243  0.202845  0.594067  1
  Ni  Ni67  1  0.503243  0.037725  0.593237  1
  Ni  Ni68  1  0.503243  0.457655  0.688547  1
  Ni  Ni69  1  0.503243  0.247487  0.641386  1
  Ni  Ni70  1  1.003243  0.807501  0.617724  1
  Ni  Ni71  1  1.003243  0.597929  0.570116  1
  Ni  Ni72  1  1.003243  0.018194  0.665629  1
