data_[Bi8Ir8]
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_12_12_1]
_cell_length_a [5.9142]
_cell_length_b [7.4570]
_cell_length_c [8.6134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [BiIr]
_chemical_formula_sum '[Bi8 Ir8]'
_cell_volume [379.8680]
_cell_formula_units_Z [8]
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  0.0058  0.6296  0.6457  1
  Bi  Bi1  4  0.0209  0.1922  0.3924  1
  Ir  Ir2  4  0.0352  0.3378  0.1078  1
  Ir  Ir3  4  0.2418  0.9907  0.1125  1
]