data_[Rb8Br16Cl32]
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 [Fdd2]
_cell_length_a [16.8059]
_cell_length_b [17.0203]
_cell_length_c [6.8860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Rb(BrCl2)2]
_chemical_formula_sum '[Rb8 Br16 Cl32]'
_cell_volume [1969.6878]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.2373  1
  Br  Br1  16  0.0096  0.2588  0.1283  1
  Cl  Cl2  16  0.0893  0.1418  0.6258  1
  Cl  Cl3  16  0.1109  0.1628  0.1311  1
]