data_[Li4W4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3043]
_cell_length_b [6.6575]
_cell_length_c [6.7781]
_cell_angle_alpha [118.8888]
_cell_angle_beta [90.0536]
_cell_angle_gamma [90.2998]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiWS2]
_chemical_formula_sum '[Li4 W4 S8]'
_cell_volume [249.0745]
_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
[
  Li  Li0  2  0.0110  0.5207  0.2909  1.0
  Li  Li1  2  0.0241  0.0075  0.2570  1.0
  W  W2  2  0.4947  0.0571  0.8084  1.0
  W  W3  2  0.4992  0.4910  0.7894  1.0
  S  S4  2  0.2240  0.3445  0.9319  1.0
  S  S5  2  0.2530  0.8157  0.8923  1.0
  S  S6  2  0.2826  0.8491  0.4321  1.0
  S  S7  2  0.3044  0.3207  0.4077  1.0
]