data_[Cs4P4S4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.0139]
_cell_length_b [8.1894]
_cell_length_c [8.8424]
_cell_angle_alpha [83.4154]
_cell_angle_beta [65.4165]
_cell_angle_gamma [74.4713]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPSO2]
_chemical_formula_sum '[Cs4 P4 S4 O8]'
_cell_volume [508.4475]
_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  2  0.1409  0.1654  0.6377  1.0
  Cs  Cs1  2  0.3384  0.6463  0.8399  1.0
  P  P2  2  0.2195  0.1958  0.0823  1.0
  P  P3  2  0.4272  0.9086  0.2313  1.0
  S  S4  2  0.1517  0.3837  0.2344  1.0
  S  S5  2  0.3229  0.7440  0.4024  1.0
  O  O6  2  0.0887  0.1865  0.0040  1.0
  O  O7  2  0.2570  0.0106  0.1734  1.0
  O  O8  2  0.4313  0.1993  0.9404  1.0
  O  O9  2  0.4825  0.9708  0.7327  1.0
]