data_[K3Na1W2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  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 [7.2921]
_cell_length_b [7.2921]
_cell_length_c [9.2755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Na(WS4)2]
_chemical_formula_sum '[K3 Na1 W2 S8]'
_cell_volume [427.1448]
_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
[
  K  K0  2  0.3333  0.6667  0.3589  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Na  Na2  1  0.0000  0.0000  0.5000  1.0
  W  W3  2  0.3333  0.6667  0.7803  1.0
  S  S4  6  0.1688  0.3375  0.6980  1.0
  S  S5  2  0.3333  0.6667  0.0149  1.0
]