data_[Cs4Ag4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2813]
_cell_length_b [13.5966]
_cell_length_c [7.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsAgS3]
_chemical_formula_sum '[Cs4 Ag4 S12]'
_cell_volume [609.8207]
_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  0.0000  0.1513  0.2500  1
  Ag  Ag1  4  0.0000  0.4409  0.2500  1
  S  S2  8  0.2359  0.4161  0.0712  1
  S  S3  4  0.0000  0.1725  0.7500  1
]