data_[Ba8Cd4Sb4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1889]
_cell_length_b [18.3192]
_cell_length_c [12.9131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CdSbS5]
_chemical_formula_sum '[Ba8 Cd4 Sb4 S20]'
_cell_volume [990.9056]
_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
[
  Ba  Ba0  4  0.0000  0.1049  0.6823  1.0
  Ba  Ba1  4  0.0000  0.1276  0.3039  1.0
  Cd  Cd2  4  0.0000  0.4439  0.4489  1.0
  Sb  Sb3  4  0.0000  0.2186  0.0195  1.0
  S  S4  4  0.0000  0.0694  0.0568  1.0
  S  S5  4  0.0000  0.2764  0.6554  1.0
  S  S6  4  0.0000  0.2991  0.3826  1.0
  S  S7  4  0.0000  0.3568  0.9982  1.0
  S  S8  4  0.0000  0.4980  0.7764  1.0
]