data_[K2As2Br2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4841]
_cell_length_b [7.0808]
_cell_length_c [8.0914]
_cell_angle_alpha [110.2275]
_cell_angle_beta [99.3292]
_cell_angle_gamma [105.8808]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KAsBrF3]
_chemical_formula_sum '[K2 As2 Br2 F6]'
_cell_volume [222.2878]
_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  2  0.0288  0.3300  0.6671  1
  As  As1  2  0.3127  0.1512  0.2084  1
  Br  Br2  2  0.4328  0.7584  0.0739  1
  F  F3  2  0.2462  0.0997  0.4106  1
  F  F4  2  0.2603  0.7485  0.6787  1
  F  F5  2  0.3423  0.4338  0.3108  1
]