data_[Cs2Bi4I2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9664]
_cell_length_b [7.0908]
_cell_length_c [8.3184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsBi2IO8]
_chemical_formula_sum '[Cs2 Bi4 I2 O16]'
_cell_volume [410.5974]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1
  Bi  Bi1  4  0.0234  0.5000  0.2124  1
  I  I2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0158  0.1805  0.8328  1
  O  O4  4  0.1037  0.5000  0.5278  1
  O  O5  4  0.2169  0.5000  0.9781  1
]