data_[Cs4Ag4P4S12]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1674]
_cell_length_b [7.3131]
_cell_length_c [8.0873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAgPS3]
_chemical_formula_sum '[Cs4 Ag4 P4 S12]'
_cell_volume [736.9330]
_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  0.1973  0.5000  0.7068  1.0
  Ag  Ag1  4  0.0000  0.2267  0.0000  1.0
  P  P2  4  0.0219  0.0000  0.6493  1.0
  S  S3  8  0.0551  0.2349  0.3106  1.0
  S  S4  4  0.1804  0.0000  0.7645  1.0
]