data_[Rb8C4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3872]
_cell_length_b [8.6031]
_cell_length_c [10.7351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2CS3]
_chemical_formula_sum '[Rb8 C4 S12]'
_cell_volume [854.9057]
_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  0.1303  0.2419  0.6073  1.0
  C  C1  4  0.0000  0.0678  0.2500  1.0
  S  S2  8  0.1410  0.0334  0.8799  1.0
  S  S3  4  0.0000  0.2688  0.2500  1.0
]