# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43178582
_cell_length_b   5.26123447
_cell_length_c   52.12168547
_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   'Zr32 Ni16'
_cell_volume   1763.75266211
_cell_formula_units_Z   16
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  0.331970  0.502261  0.360534  1
  Zr  Zr2  1  0.172678  0.502261  0.298239  1
  Zr  Zr3  1  0.340956  1.002261  0.277167  1
  Zr  Zr4  1  0.173857  1.002261  0.339913  1
  Zr  Zr5  1  0.832960  0.002261  0.298239  1
  Zr  Zr6  1  0.673668  1.002261  0.360534  1
  Zr  Zr7  1  0.831781  0.502261  0.339913  1
  Zr  Zr8  1  0.664682  0.502261  0.277167  1
  Zr  Zr9  1  0.332407  0.502261  0.485667  1
  Zr  Zr10  1  0.173205  0.502261  0.423088  1
  Zr  Zr11  1  0.332334  1.002261  0.402628  1
  Zr  Zr12  1  0.173226  1.002261  0.465213  1
  Zr  Zr13  1  0.832434  1.002261  0.423088  1
  Zr  Zr14  1  0.673232  1.002261  0.485667  1
  Zr  Zr15  1  0.832413  0.502261  0.465213  1
  Zr  Zr16  1  0.673305  0.502261  0.402628  1
  Zr  Zr17  1  0.331970  0.502261  0.610909  1
  Zr  Zr18  1  0.173312  0.502261  0.548250  1
  Zr  Zr19  1  0.332427  1.002261  0.527790  1
  Zr  Zr20  1  0.173233  0.002261  0.590356  1
  Zr  Zr21  1  0.832327  1.002261  0.548250  1
  Zr  Zr22  1  0.673669  0.002261  0.610909  1
  Zr  Zr23  1  0.832405  0.502261  0.590356  1
  Zr  Zr24  1  0.673212  0.502261  0.527790  1
  Zr  Zr25  1  0.349152  0.502261  0.735237  1
  Zr  Zr26  1  0.171123  0.502261  0.673810  1
  Zr  Zr27  1  0.331330  1.002261  0.652801  1
  Zr  Zr28  1  0.167157  0.002261  0.715641  1
  Zr  Zr29  1  0.834516  1.002261  0.673810  1
  Zr  Zr30  1  0.656486  1.002261  0.735237  1
  Zr  Zr31  1  0.838481  0.502261  0.715641  1
  Zr  Zr32  1  0.674308  0.502261  0.652801  1
  Ni  Ni33  1  0.502819  0.252261  0.319130  1
  Ni  Ni34  1  0.502819  0.752261  0.319130  1
  Ni  Ni35  1  1.002819  0.752261  0.258707  1
  Ni  Ni36  1  1.002819  0.252261  0.258707  1
  Ni  Ni37  1  0.502819  0.252261  0.444153  1
  Ni  Ni38  1  0.502819  0.752261  0.444153  1
  Ni  Ni39  1  1.002819  0.752261  0.381536  1
  Ni  Ni40  1  1.002819  0.252261  0.381536  1
  Ni  Ni41  1  0.502819  0.252261  0.569335  1
  Ni  Ni42  1  0.502819  0.752261  0.569335  1
  Ni  Ni43  1  1.002819  0.752261  0.506731  1
  Ni  Ni44  1  1.002819  0.252261  0.506731  1
  Ni  Ni45  1  0.502819  0.252261  0.694288  1
  Ni  Ni46  1  0.502819  0.752261  0.694288  1
  Ni  Ni47  1  1.002819  0.752261  0.632015  1
  Ni  Ni48  1  1.002819  0.252261  0.632015  1
