data_[Rb12Se8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.8873]
_cell_length_b [9.3494]
_cell_length_c [9.1509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb3(SeS2)2]
_chemical_formula_sum '[Rb12 Se8 S16]'
_cell_volume [1335.9386]
_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  0.1401  0.0863  0.8787  1
  Rb  Rb1  4  0.0000  0.4697  0.2500  1
  Se  Se2  8  0.1697  0.3359  0.5579  1
  S  S3  8  0.0503  0.2086  0.5284  1
  S  S4  8  0.2040  0.4131  0.7889  1
]