data_[K10Br8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [4.6444]
_cell_length_b [4.6444]
_cell_length_c [32.1572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K5Br4F]
_chemical_formula_sum '[K10 Br8 F2]'
_cell_volume [693.6529]
_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
[
  K  K0  4  0.0000  0.0000  0.0861  1
  K  K1  4  0.0000  0.0000  0.3005  1
  K  K2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.0000  0.0000  0.1961  1
  Br  Br4  4  0.0000  0.0000  0.4036  1
  F  F5  2  0.0000  0.0000  0.0000  1
]