data_[Cd3In12Bi3Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3143]
_cell_length_b [8.3143]
_cell_length_c [20.5321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CdIn4BiSe8]
_chemical_formula_sum '[Cd3 In12 Bi3 Se24]'
_cell_volume [1229.1803]
_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  0.3733  1.0
  In  In1  9  0.1685  0.3369  0.8333  1.0
  In  In2  3  0.0000  0.0000  0.6275  1.0
  Bi  Bi3  3  0.0000  0.0000  0.0008  1.0
  Se  Se4  9  0.0162  0.5081  0.7569  1.0
  Se  Se5  9  0.1737  0.3474  0.5754  1.0
  Se  Se6  3  0.0000  0.0000  0.2401  1.0
  Se  Se7  3  0.0000  0.0000  0.7617  1.0
]