data_[Bi6Ir2O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.3695]
_cell_length_b [3.7346]
_cell_length_c [19.9714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Bi3IrO2]
_chemical_formula_sum '[Bi6 Ir2 O4]'
_cell_volume [773.4213]
_cell_formula_units_Z [2]
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  2  0.1356  0.7500  0.9448  1
  Bi  Bi1  2  0.2966  0.2500  0.0737  1
  Bi  Bi2  2  0.3969  0.2500  0.8823  1
  Ir  Ir3  2  0.4072  0.7500  0.9876  1
  O  O4  2  0.1079  0.2500  0.0249  1
  O  O5  2  0.1886  0.2500  0.8755  1
]