data_[K2Cu1Br1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  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 [6.0245]
_cell_length_b [6.0466]
_cell_length_c [6.3471]
_cell_angle_alpha [96.8351]
_cell_angle_beta [114.8292]
_cell_angle_gamma [113.1865]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2CuBrF6]
_chemical_formula_sum '[K2 Cu1 Br1 F6]'
_cell_volume [181.3398]
_cell_formula_units_Z [1]
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  0.4899  0.7566  0.2351  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  1  0.0000  0.5000  0.5000  1.0
  F  F3  2  0.1422  0.2732  0.9146  1.0
  F  F4  2  0.1767  0.7978  0.7959  1.0
  F  F5  2  0.3317  0.1313  0.2831  1.0
]