data_[Cs3Ag3P6S24]
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 [R-3]
_cell_length_a [5.6119]
_cell_length_b [5.6119]
_cell_length_c [35.8692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsAg(PS4)2]
_chemical_formula_sum '[Cs3 Ag3 P6 S24]'
_cell_volume [978.3147]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  Ag  Ag1  3  0.0000  0.0000  0.0000  1
  P  P2  6  0.0000  0.0000  0.2629  1
  S  S3  18  0.0117  0.3092  0.3803  1
  S  S4  6  0.0000  0.0000  0.2077  1
]