data_[Bi4Ir4O4]
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/c]
_cell_length_a [6.0261]
_cell_length_b [6.0194]
_cell_length_c [6.0716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiIrO]
_chemical_formula_sum '[Bi4 Ir4 O4]'
_cell_volume [214.9332]
_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  0.3340  0.6029  0.1536  1
  Ir  Ir1  4  0.2157  0.0150  0.2209  1
  O  O2  4  0.1302  0.0938  0.8550  1
]