data_[Rb6Br2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.4669]
_cell_length_b [7.4384]
_cell_length_c [14.9000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3BrF6]
_chemical_formula_sum '[Rb6 Br2 F12]'
_cell_volume [472.4695]
_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  0.3004  0.1682  0.7581  1
  Rb  Rb1  2  0.5000  0.0000  0.5000  1
  Br  Br2  2  0.0000  0.0000  0.0000  1
  F  F3  4  0.1054  0.7336  0.5593  1
  F  F4  4  0.2648  0.5134  0.8119  1
  F  F5  4  0.3673  0.1060  0.0877  1
]