data_[Rb4B4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.5847]
_cell_length_b [10.2566]
_cell_length_c [7.0091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [RbBCl3]
_chemical_formula_sum '[Rb4 B4 Cl12]'
_cell_volume [545.2540]
_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  0.0236  0.2508  0.5000  1
  B  B1  4  0.0946  0.4540  0.0000  1
  Cl  Cl2  8  0.2396  0.4864  0.2144  1
  Cl  Cl3  4  0.0452  0.2721  0.0000  1
]