data_[Cs10Cd4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5675]
_cell_length_b [4.3218]
_cell_length_c [12.1196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5Cd2S5]
_chemical_formula_sum '[Cs10 Cd4 S10]'
_cell_volume [854.0766]
_cell_formula_units_Z [2]
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  0.1501  0.5000  0.0806  1
  Cs  Cs1  4  0.2178  0.0000  0.6295  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  Cd  Cd3  4  0.0283  0.0000  0.7951  1
  S  S4  4  0.1110  0.0000  0.3401  1
  S  S5  4  0.1170  0.5000  0.7802  1
  S  S6  2  0.0000  0.0000  0.0000  1
]