data_[K1Rb3W2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.5162]
_cell_length_b [7.5162]
_cell_length_c [9.9193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [KRb3(WS4)2]
_chemical_formula_sum '[K1 Rb3 W2 S8]'
_cell_volume [485.3044]
_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
[
  Rb  Rb0  2  0.3333  0.6667  0.3406  1.0
  Rb  Rb1  1  0.0000  0.0000  0.0000  1.0
  K  K2  1  0.0000  0.0000  0.5000  1.0
  W  W3  2  0.3333  0.6667  0.7856  1.0
  S  S4  6  0.1733  0.3466  0.7099  1.0
  S  S5  2  0.3333  0.6667  0.0051  1.0
]