data_[Cs4Sb2P4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  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 [13.9414]
_cell_length_b [6.9499]
_cell_length_c [7.3652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sb(PS3)2]
_chemical_formula_sum '[Cs4 Sb2 P4 S12]'
_cell_volume [686.1858]
_cell_formula_units_Z [2]
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  0.2095  0.5000  0.2047  1.0
  Sb  Sb1  2  0.0000  0.5000  0.5000  1.0
  P  P2  4  0.0165  0.0000  0.1656  1.0
  S  S3  8  0.0598  0.2441  0.7925  1.0
  S  S4  4  0.1632  0.0000  0.2820  1.0
]