data_[Rb4B4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4199]
_cell_length_b [7.9470]
_cell_length_c [13.1223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbBBr3]
_chemical_formula_sum '[Rb4 B4 Br12]'
_cell_volume [648.7175]
_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  0.2712  0.5569  0.2487  1.0
  B  B1  4  0.4370  0.0878  0.4572  1.0
  Br  Br2  4  0.2386  0.0335  0.2730  1.0
  Br  Br3  4  0.2480  0.2058  0.5081  1.0
  Br  Br4  4  0.3431  0.7336  0.5258  1.0
]