data_[Rb12S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [19.8486]
_cell_length_b [19.8486]
_cell_length_c [17.7997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Rb2S]
_chemical_formula_sum '[Rb12 S6]'
_cell_volume [6072.9604]
_cell_formula_units_Z [6]
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  6  0.2183  0.5012  0.4360  1
  Rb  Rb1  3  0.0000  0.5525  0.5352  1
  Rb  Rb2  2  0.3333  0.6667  0.5933  1
  Rb  Rb3  1  0.0000  0.0000  0.5905  1
  S  S4  6  0.1738  0.6182  0.5002  1
]