data_[Cs12Bi9Sb3Se24]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.7328]
_cell_length_b [8.7328]
_cell_length_c [25.2003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4Bi3SbSe8]
_chemical_formula_sum '[Cs12 Bi9 Sb3 Se24]'
_cell_volume [1664.3277]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Cs  Cs1  3  -0.0000  -0.0000  0.5000  1.0
  Bi  Bi2  9  0.0000  0.5000  0.0000  1.0
  Sb  Sb3  3  0.0000  0.0000  0.0000  1.0
  Se  Se4  18  0.0050  0.5025  0.7303  1.0
  Se  Se5  6  0.0000  0.0000  0.2689  1.0
]