data_[Cs12Bi8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2727]
_cell_length_b [10.6715]
_cell_length_c [10.3124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3Bi2]
_chemical_formula_sum '[Cs12 Bi8]'
_cell_volume [1093.0065]
_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
[
  Cs  Cs0  8  0.2089  0.4505  0.4815  1.0
  Cs  Cs1  4  0.0000  0.1571  0.7500  1.0
  Bi  Bi2  8  0.0949  0.2136  0.1611  1.0
]