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 [5.7570]
_cell_length_b [5.8245]
_cell_length_c [6.0576]
_cell_angle_alpha [62.0045]
_cell_angle_beta [62.5744]
_cell_angle_gamma [62.2787]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3CuF6]
_chemical_formula_sum '[K3 Cu1 F6]'
_cell_volume [150.9492]
_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  0.2455  0.2574  0.2367  1
  K  K1  1  0.5000  0.5000  0.5000  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.1236  0.7698  0.3044  1
  F  F4  2  0.2323  0.7162  0.8403  1
  F  F5  2  0.2950  0.1454  0.8358  1
]