# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03896501
_cell_length_b   8.33001618
_cell_length_c   48.76481334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.19987707
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr48 Ni24'
_cell_volume   3072.37962285
_cell_formula_units_Z   24
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  0.482202  0.454380  0.321050  1
  Zr  Zr2  1  0.079781  0.311839  0.347350  1
  Zr  Zr3  1  0.086849  0.019387  0.311154  1
  Zr  Zr4  1  0.694752  0.880731  0.336216  1
  Zr  Zr5  1  0.844385  0.179727  0.288160  1
  Zr  Zr6  1  0.441781  0.019623  0.311136  1
  Zr  Zr7  1  0.741439  0.311446  0.347459  1
  Zr  Zr8  1  0.056086  0.603441  0.300390  1
  Zr  Zr9  1  0.770145  0.029427  0.395160  1
  Zr  Zr10  1  0.367084  0.884496  0.418651  1
  Zr  Zr11  1  0.384748  0.597677  0.382610  1
  Zr  Zr12  1  0.981766  0.453617  0.407168  1
  Zr  Zr13  1  0.128530  0.746956  0.358634  1
  Zr  Zr14  1  0.723168  0.598155  0.382504  1
  Zr  Zr15  1  0.027785  0.883961  0.418740  1
  Zr  Zr16  1  0.339358  0.169423  0.370278  1
  Zr  Zr17  1  0.056538  0.601015  0.466063  1
  Zr  Zr18  1  0.653307  0.455612  0.490337  1
  Zr  Zr19  1  0.670629  0.169525  0.454918  1
  Zr  Zr20  1  0.267697  0.024275  0.478892  1
  Zr  Zr21  1  0.413281  0.315146  0.430000  1
  Zr  Zr22  1  0.010441  0.170066  0.454816  1
  Zr  Zr23  1  0.313942  0.455081  0.490452  1
  Zr  Zr24  1  0.624069  0.737677  0.443070  1
  Zr  Zr25  1  0.342855  0.172376  0.537758  1
  Zr  Zr26  1  0.939201  0.026255  0.562071  1
  Zr  Zr27  1  0.956783  0.740391  0.526239  1
  Zr  Zr28  1  0.553936  0.595490  0.550656  1
  Zr  Zr29  1  0.699447  0.886170  0.501952  1
  Zr  Zr30  1  0.296420  0.740904  0.526147  1
  Zr  Zr31  1  0.599935  0.025673  0.562175  1
  Zr  Zr32  1  0.910720  0.309693  0.514890  1
  Zr  Zr33  1  0.626973  0.739554  0.610112  1
  Zr  Zr34  1  0.224435  0.598977  0.634104  1
  Zr  Zr35  1  0.243843  0.312635  0.597969  1
  Zr  Zr36  1  0.838758  0.163911  0.622224  1
  Zr  Zr37  1  0.985703  0.457421  0.573815  1
  Zr  Zr38  1  0.582858  0.313048  0.597848  1
  Zr  Zr39  1  0.888521  0.598447  0.634143  1
  Zr  Zr40  1  0.197055  0.881077  0.586167  1
  Zr  Zr41  1  0.914560  0.313762  0.682082  1
  Zr  Zr42  1  0.522936  0.184624  0.703430  1
  Zr  Zr43  1  0.528932  0.886101  0.668982  1
  Zr  Zr44  1  0.132343  0.750573  0.694599  1
  Zr  Zr45  1  0.273183  0.031574  0.645563  1
  Zr  Zr46  1  0.871876  0.886179  0.668837  1
  Zr  Zr47  1  0.176221  0.184151  0.703466  1
  Zr  Zr48  1  0.486577  0.459216  0.660106  1
  Ni  Ni49  1  0.702481  0.389938  0.295881  1
  Ni  Ni50  1  0.839438  0.673076  0.329841  1
  Ni  Ni51  1  0.342889  0.673118  0.329841  1
  Ni  Ni52  1  0.197144  0.391007  0.295821  1
  Ni  Ni53  1  0.981944  0.956274  0.365767  1
  Ni  Ni54  1  0.126438  0.241556  0.401673  1
  Ni  Ni55  1  0.625528  0.241611  0.401678  1
  Ni  Ni56  1  0.484098  0.956234  0.365787  1
  Ni  Ni57  1  0.269354  0.527859  0.436699  1
  Ni  Ni58  1  0.412078  0.812563  0.472520  1
  Ni  Ni59  1  0.912090  0.812579  0.472508  1
  Ni  Ni60  1  0.769465  0.527904  0.436693  1
  Ni  Ni61  1  0.554910  0.097778  0.508418  1
  Ni  Ni62  1  0.698235  0.383282  0.544078  1
  Ni  Ni63  1  0.197898  0.383247  0.544093  1
  Ni  Ni64  1  0.055111  0.097803  0.508410  1
  Ni  Ni65  1  0.840849  0.668085  0.579715  1
  Ni  Ni66  1  0.983199  0.953157  0.615129  1
  Ni  Ni67  1  0.483871  0.953016  0.615169  1
  Ni  Ni68  1  0.340664  0.667990  0.579751  1
  Ni  Ni69  1  0.126126  0.241765  0.651055  1
  Ni  Ni70  1  0.268727  0.528643  0.685861  1
  Ni  Ni71  1  0.774839  0.528488  0.685779  1
  Ni  Ni72  1  0.630040  0.241544  0.651045  1
