data_[Rb6W2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmn2_1]
_cell_length_a [12.8443]
_cell_length_b [6.6245]
_cell_length_c [6.5729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb3WS4]
_chemical_formula_sum '[Rb6 W2 S8]'
_cell_volume [559.2676]
_cell_formula_units_Z [2]
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  4  0.2499  0.7648  0.0826  1
  Rb  Rb1  2  0.0000  0.6883  0.5325  1
  W  W2  2  0.0000  0.1482  0.9733  1
  S  S3  4  0.1534  0.2726  0.0908  1
  S  S4  2  0.0000  0.1861  0.6331  1
  S  S5  2  0.0000  0.8134  0.0297  1
]