data_[K2Cu2Br4F2]
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 [P2_1/m]
_cell_length_a [6.9396]
_cell_length_b [4.6347]
_cell_length_c [8.3896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCuBr2F]
_chemical_formula_sum '[K2 Cu2 Br4 F2]'
_cell_volume [260.1081]
_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  0.4434  0.2500  0.6880  1
  Cu  Cu1  2  0.0871  0.2500  0.2520  1
  Br  Br2  2  0.0705  0.7500  0.3604  1
  Br  Br3  2  0.2389  0.7500  0.9169  1
  F  F4  2  0.3672  0.2500  0.3447  1
]