data_[K3Cu1F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0310]
_cell_length_b [6.0752]
_cell_length_c [6.2621]
_cell_angle_alpha [61.5890]
_cell_angle_beta [61.7716]
_cell_angle_gamma [61.4691]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3CuF6]
_chemical_formula_sum '[K3 Cu1 F6]'
_cell_volume [168.0948]
_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  0.2464  0.2569  0.2310  1.0
  K  K1  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1199  0.7767  0.2961  1.0
  F  F4  2  0.2248  0.7241  0.8456  1.0
  F  F5  2  0.2872  0.1417  0.8388  1.0
]