data_[Rb4Br12F4]
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 [I4/mmm]
_cell_length_a [7.5894]
_cell_length_b [7.5894]
_cell_length_c [10.6834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [RbBr3F]
_chemical_formula_sum '[Rb4 Br12 F4]'
_cell_volume [615.3612]
_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  0.0000  0.5000  0.2500  1
  Br  Br1  8  0.2219  0.2219  0.5000  1
  Br  Br2  4  0.0000  0.0000  0.2045  1
  F  F3  2  0.0000  0.0000  0.0000  1
  F  F4  2  0.0000  0.0000  0.5000  1
]