data_[Rb4Br4Cl12]
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 [P2_1/c]
_cell_length_a [9.4328]
_cell_length_b [7.9582]
_cell_length_c [11.0605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbBrCl3]
_chemical_formula_sum '[Rb4 Br4 Cl12]'
_cell_volume [686.0019]
_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  0.1831  0.7345  0.6305  1.0
  Br  Br1  4  0.2972  0.2048  0.8592  1.0
  Cl  Cl2  4  0.0104  0.0837  0.7085  1.0
  Cl  Cl3  4  0.2805  0.2129  0.1053  1.0
  Cl  Cl4  4  0.4161  0.7029  0.9955  1.0
]