# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43494008
_cell_length_b   6.43494008
_cell_length_c   48.45628387
_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   2006.49979218
_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  0.329640  0.829640  0.292849  1
  Zr  Zr2  1  0.336144  0.170214  0.348110  1
  Zr  Zr3  1  0.176718  0.329640  0.292849  1
  Zr  Zr4  1  0.170214  0.670214  0.348110  1
  Zr  Zr5  1  0.836144  0.336144  0.348110  1
  Zr  Zr6  1  0.829640  0.676718  0.292849  1
  Zr  Zr7  1  0.670214  0.836144  0.348110  1
  Zr  Zr8  1  0.676718  0.176718  0.292849  1
  Zr  Zr9  1  0.334499  0.834499  0.404074  1
  Zr  Zr10  1  0.334494  0.171864  0.459657  1
  Zr  Zr11  1  0.171859  0.334499  0.404074  1
  Zr  Zr12  1  0.171864  0.671864  0.459657  1
  Zr  Zr13  1  0.834494  0.334494  0.459657  1
  Zr  Zr14  1  0.834499  0.671859  0.404074  1
  Zr  Zr15  1  0.671864  0.834494  0.459657  1
  Zr  Zr16  1  0.671859  0.171859  0.404074  1
  Zr  Zr17  1  0.334530  0.834530  0.515265  1
  Zr  Zr18  1  0.334502  0.171856  0.570914  1
  Zr  Zr19  1  0.171828  0.334530  0.515265  1
  Zr  Zr20  1  0.171856  0.671856  0.570914  1
  Zr  Zr21  1  0.834502  0.334502  0.570914  1
  Zr  Zr22  1  0.834530  0.671828  0.515265  1
  Zr  Zr23  1  0.671856  0.834502  0.570914  1
  Zr  Zr24  1  0.671828  0.171828  0.515265  1
  Zr  Zr25  1  0.335080  0.835080  0.626557  1
  Zr  Zr26  1  0.330029  0.176329  0.682370  1
  Zr  Zr27  1  0.171278  0.335080  0.626557  1
  Zr  Zr28  1  0.176329  0.676329  0.682370  1
  Zr  Zr29  1  0.830029  0.330029  0.682370  1
  Zr  Zr30  1  0.835080  0.671278  0.626557  1
  Zr  Zr31  1  0.676329  0.830029  0.682370  1
  Zr  Zr32  1  0.671278  0.171278  0.626557  1
  Ni  Ni33  1  0.003179  0.003179  0.376408  1
  Ni  Ni34  1  0.003179  0.003179  0.320949  1
  Ni  Ni35  1  0.503179  0.503179  0.320949  1
  Ni  Ni36  1  0.503179  0.503179  0.376408  1
  Ni  Ni37  1  0.003179  0.003179  0.487464  1
  Ni  Ni38  1  0.003179  0.003179  0.431853  1
  Ni  Ni39  1  0.503179  0.503179  0.431853  1
  Ni  Ni40  1  0.503179  0.503179  0.487464  1
  Ni  Ni41  1  0.003179  0.003179  0.598372  1
  Ni  Ni42  1  0.003179  0.003179  0.542997  1
  Ni  Ni43  1  0.503179  0.503179  0.542997  1
  Ni  Ni44  1  0.503179  0.503179  0.598372  1
  Ni  Ni45  1  0.003179  0.003179  0.707790  1
  Ni  Ni46  1  0.003179  0.003179  0.654086  1
  Ni  Ni47  1  0.503179  0.503179  0.654086  1
  Ni  Ni48  1  0.503179  0.503179  0.707790  1
