data_[Rb20S4I8Br4]
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 [Cmc2_1]
_cell_length_a [5.1043]
_cell_length_b [21.1762]
_cell_length_c [17.1633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb5SI2Br]
_chemical_formula_sum '[Rb20 S4 I8 Br4]'
_cell_volume [1855.1946]
_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  0.0000  0.0895  0.0637  1
  Rb  Rb1  4  0.0000  0.2509  0.6511  1
  Rb  Rb2  4  0.0000  0.2853  0.4186  1
  Rb  Rb3  4  0.0000  0.3853  0.9980  1
  Rb  Rb4  4  0.0000  0.4921  0.7701  1
  S  S5  4  0.0000  0.2376  0.0314  1
  I  I6  4  0.0000  0.0737  0.6544  1
  I  I7  4  0.0000  0.1372  0.2881  1
  Br  Br8  4  0.0000  0.4524  0.4485  1
]