data_[Rb8Si4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5686]
_cell_length_b [6.9619]
_cell_length_c [9.8128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2SiS3]
_chemical_formula_sum '[Rb8 Si4 S12]'
_cell_volume [751.4769]
_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
[
  Rb  Rb0  4  0.0829  0.5000  0.3665  1.0
  Rb  Rb1  4  0.1918  0.0000  0.8140  1.0
  Si  Si2  4  0.1149  0.0000  0.1759  1.0
  S  S3  4  0.0000  0.2338  0.0000  1.0
  S  S4  4  0.1122  0.0000  0.3863  1.0
  S  S5  4  0.2140  0.5000  0.7795  1.0
]