data_[Cd2Ag10S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.3337]
_cell_length_b [8.5583]
_cell_length_c [6.1776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CdAg5S4]
_chemical_formula_sum '[Cd2 Ag10 S8]'
_cell_volume [440.5978]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.7509  1.0
  Ag  Ag1  8  0.1787  0.1813  0.2167  1.0
  Ag  Ag2  2  0.0000  0.5000  0.2614  1.0
  S  S3  4  0.0000  0.2813  0.9283  1.0
  S  S4  4  0.2482  0.0000  0.5121  1.0
]