data_[In6Bi18O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2390]
_cell_length_b [10.2390]
_cell_length_c [11.0966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In(BiO2)3]
_chemical_formula_sum '[In6 Bi18 O36]'
_cell_volume [1007.4774]
_cell_formula_units_Z [6]
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
[
  In  In0  3  0.0000  0.0000  0.0000  1.0
  In  In1  3  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  18  0.0470  0.7861  0.7041  1.0
  O  O3  18  0.0219  0.8449  0.3741  1.0
  O  O4  18  0.0451  0.8405  0.8975  1.0
]