data_[Cs4Si4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2945]
_cell_length_b [7.2847]
_cell_length_c [8.6920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSiAgS3]
_chemical_formula_sum '[Cs4 Si4 Ag4 S12]'
_cell_volume [783.4638]
_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  0.1937  0.5000  0.2099  1.0
  Si  Si1  4  0.0351  0.0000  0.2562  1.0
  Ag  Ag2  4  0.0000  0.2589  0.5000  1.0
  S  S3  8  0.0553  0.2428  0.7944  1.0
  S  S4  4  0.1971  0.0000  0.3265  1.0
]