data_[Cs4Ag4Te4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7581]
_cell_length_b [7.7633]
_cell_length_c [9.4363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAgTeS3]
_chemical_formula_sum '[Cs4 Ag4 Te4 S12]'
_cell_volume [919.0873]
_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  0.2328  0.5000  0.2708  1.0
  Ag  Ag1  4  0.0000  0.2392  0.5000  1.0
  Te  Te2  4  0.0822  0.0000  0.1859  1.0
  S  S3  8  0.0187  0.2443  0.7555  1.0
  S  S4  4  0.2425  0.0000  0.3457  1.0
]