data_[Bi8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0057]
_cell_length_b [6.9023]
_cell_length_c [7.0905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi2Ir]
_chemical_formula_sum '[Bi8 Ir4]'
_cell_volume [308.1819]
_cell_formula_units_Z [4]
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
[
  Bi  Bi0  4  0.1453  0.6392  0.3795  1.0
  Bi  Bi1  4  0.3468  0.1393  0.6764  1.0
  Ir  Ir2  4  0.2726  0.5016  0.7911  1.0
]