# generated using pymatgen
data_Zr2Ni3BIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63004953
_cell_length_b   5.63004952
_cell_length_c   5.48911113
_cell_angle_alpha   59.14695030
_cell_angle_beta   59.14695443
_cell_angle_gamma   59.99999785
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni3BIr3
_chemical_formula_sum   'Zr2 Ni3 B1 Ir3'
_cell_volume   121.41985509
_cell_formula_units_Z   1
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  Zr0  1  0.75672973  0.75672973  0.72981082  1.0
  Zr  Zr1  1  0.24867450  0.24867450  0.25397551  1.0
  Ni  Ni2  1  0.73706398  0.73706398  0.24681248  1.0
  Ni  Ni3  1  0.27905956  0.73706398  0.24681248  1.0
  Ni  Ni4  1  0.73706398  0.27905956  0.24681248  1.0
  B  B5  1  0.98531073  0.98531073  0.04406682  1.0
  Ir  Ir6  1  0.25601506  0.25601506  0.74390347  1.0
  Ir  Ir7  1  0.74406641  0.25601506  0.74390347  1.0
  Ir  Ir8  1  0.25601506  0.74406641  0.74390347  1.0