data_[Cs1Rb3W2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.2799]
_cell_length_b [7.2799]
_cell_length_c [11.9196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CsRb3(WS4)2]
_chemical_formula_sum '[Cs1 Rb3 W2 S8]'
_cell_volume [547.0687]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Rb  Rb1  2  0.3333  0.6667  0.2522  1.0
  Rb  Rb2  1  0.0000  0.0000  0.0000  1.0
  W  W3  2  0.3333  0.6667  0.7966  1.0
  S  S4  6  0.1676  0.3353  0.7355  1.0
  S  S5  2  0.3333  0.6667  0.9804  1.0
]