data_[Rb12S2I4Br2]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7873]
_cell_length_b [9.3589]
_cell_length_c [9.0058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb6SI2Br]
_chemical_formula_sum '[Rb12 S2 I4 Br2]'
_cell_volume [1093.5138]
_cell_formula_units_Z [2]
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  0.0673  0.2607  0.3046  1
  Rb  Rb1  4  0.2345  0.5000  0.1058  1
  S  S2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.2479  0.0000  0.2938  1
  Br  Br4  2  0.0000  0.0000  0.5000  1
]