data_[K4Rb4Br8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/c]
_cell_length_a [9.5219]
_cell_length_b [12.4148]
_cell_length_c [7.8685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KRb(BrF3)2]
_chemical_formula_sum '[K4 Rb4 Br8 F24]'
_cell_volume [864.9520]
_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  0.2176  0.7500  1.0
  K  K1  4  0.0000  0.4418  0.2500  1.0
  Br  Br2  8  0.1455  0.1189  0.3017  1.0
  F  F3  8  0.1052  0.3935  0.6096  1.0
  F  F4  8  0.1453  0.2546  0.1735  1.0
  F  F5  8  0.1488  0.0142  0.9285  1.0
]