data_[Rb4B4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4549]
_cell_length_b [5.6707]
_cell_length_c [4.8486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbBF3]
_chemical_formula_sum '[Rb4 B4 F12]'
_cell_volume [314.3720]
_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  0.1519  0.0000  0.7971  1.0
  B  B1  4  0.0695  0.5000  0.4332  1.0
  F  F2  8  0.0930  0.2963  0.2643  1.0
  F  F3  4  0.1652  0.5000  0.6468  1.0
]