data_[Rb12H4Br2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3325]
_cell_length_b [4.6726]
_cell_length_c [9.3792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb6H2BrCl3]
_chemical_formula_sum '[Rb12 H4 Br2 Cl6]'
_cell_volume [867.0100]
_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  4  0.0063  0.0000  0.2634  1.0
  Rb  Rb1  4  0.1710  0.5000  0.0975  1.0
  Rb  Rb2  4  0.1719  0.5000  0.5740  1.0
  H  H3  4  0.1708  0.0000  0.3405  1.0
  Br  Br4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1648  0.0000  0.8301  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]