# generated using pymatgen
data_KCuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65059520
_cell_length_b   5.64702143
_cell_length_c   5.64702183
_cell_angle_alpha   90.13977443
_cell_angle_beta   119.89847544
_cell_angle_gamma   119.89847633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuF3
_chemical_formula_sum   'K2 Cu2 F6'
_cell_volume   127.64948446
_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  1  0.00000000  0.75000000  0.75000000  1.0
  K  K1  1  0.00000000  0.25000000  0.25000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.50000000  -0.00000000  1.0
  F  F4  1  0.00945372  0.25472686  0.75472686  1.0
  F  F5  1  0.50000000  0.75453065  0.74546935  1.0
  F  F6  1  0.50000000  0.24546935  0.25453065  1.0
  F  F7  1  0.99054628  0.74527314  0.24527314  1.0
  F  F8  1  0.50000000  0.75009929  0.25009929  1.0
  F  F9  1  0.50000000  0.24990071  0.74990071  1.0