data_[Rb12S4Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7402]
_cell_length_b [4.9605]
_cell_length_c [19.0999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Rb3SBr]
_chemical_formula_sum '[Rb12 S4 Br4]'
_cell_volume [828.0843]
_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  4  0.0149  0.2500  0.5894  1
  Rb  Rb1  4  0.1305  0.7500  0.9517  1
  Rb  Rb2  4  0.1459  0.2500  0.2047  1
  S  S3  4  0.2384  0.7500  0.5465  1
  Br  Br4  4  0.1543  0.2500  0.7969  1
]