data_[Rb12I4Br4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8269]
_cell_length_b [5.4929]
_cell_length_c [9.7750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3IBrF]
_chemical_formula_sum '[Rb12 I4 Br4 F4]'
_cell_volume [981.1122]
_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  0.0018  0.5000  0.2680  1
  Rb  Rb1  4  0.1463  0.0000  0.8037  1
  Rb  Rb2  4  0.1529  0.0000  0.3336  1
  I  I3  4  0.1503  0.5000  0.0682  1
  Br  Br4  4  0.1518  0.5000  0.5703  1
  F  F5  4  0.0031  0.0000  0.2704  1
]