data_[Cs4Tb4Cd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1779]
_cell_length_b [15.7775]
_cell_length_c [10.8509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsTbCdS3]
_chemical_formula_sum '[Cs4 Tb4 Cd4 S12]'
_cell_volume [715.2515]
_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  4  0.0000  0.2613  0.2500  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.4579  0.7500  1.0
  S  S3  8  0.0000  0.3850  0.5453  1.0
  S  S4  4  0.0000  0.0553  0.7500  1.0
]