data_[Rb8Se4S8]
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 [10.4964]
_cell_length_b [8.1342]
_cell_length_c [8.5787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2SeS2]
_chemical_formula_sum '[Rb8 Se4 S8]'
_cell_volume [667.8153]
_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  0.2160  0.4906  0.8600  1
  Se  Se1  4  0.0000  0.1005  0.2500  1
  S  S2  8  0.0004  0.2634  0.0372  1
]