data_[Cd3In12Bi3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.9003]
_cell_length_b [7.9003]
_cell_length_c [19.6700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CdIn4BiS8]
_chemical_formula_sum '[Cd3 In12 Bi3 S24]'
_cell_volume [1063.2142]
_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
[
  Cd  Cd0  3  0.0000  0.0000  0.6267  1
  In  In1  9  0.0025  0.5012  0.5000  1
  In  In2  3  0.0000  0.0000  0.3725  1
  Bi  Bi3  3  0.0000  0.0000  0.9991  1
  S  S4  9  0.0138  0.5069  0.7585  1
  S  S5  9  0.1751  0.3502  0.5760  1
  S  S6  3  0.0000  0.0000  0.2384  1
  S  S7  3  0.0000  0.0000  0.7600  1
]