data_[Rb8Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7568]
_cell_length_b [8.6851]
_cell_length_c [7.1122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2SnS3]
_chemical_formula_sum '[Rb8 Sn4 S12]'
_cell_volume [777.2830]
_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  8  0.1577  0.3442  0.1884  1.0
  Sn  Sn1  4  0.0000  0.0839  0.7500  1.0
  S  S2  8  0.1320  0.0433  0.4888  1.0
  S  S3  4  0.0000  0.3577  0.7500  1.0
]