data_[Rb20Br8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.6947]
_cell_length_b [9.5532]
_cell_length_c [9.1472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Rb5(BrCl)2]
_chemical_formula_sum '[Rb20 Br8 Cl8]'
_cell_volume [1546.2530]
_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  16  0.1367  0.1643  0.3523  1
  Rb  Rb1  4  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1946  0.0000  0.0000  1
  Cl  Cl3  8  0.0000  0.1742  0.6583  1
]