data_[Bi4Se8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0321]
_cell_length_b [7.7921]
_cell_length_c [7.5821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Bi(SeO3)2]
_chemical_formula_sum '[Bi4 Se8 O24]'
_cell_volume [564.0136]
_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  0.0000  0.1846  0.2500  1
  Se  Se1  8  0.1914  0.5012  0.2127  1
  O  O2  8  0.0919  0.3196  0.0837  1
  O  O3  8  0.1385  0.0615  0.6453  1
  O  O4  8  0.1691  0.4018  0.4818  1
]