# generated using pymatgen
data_KPF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72322052
_cell_length_b   4.72322086
_cell_length_c   4.72322053
_cell_angle_alpha   97.80054179
_cell_angle_beta   97.80054704
_cell_angle_gamma   97.80052257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPF6
_chemical_formula_sum   'K1 P1 F6'
_cell_volume   102.14511390
_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  1  0.50000000  0.50000000  0.50000000  1.0
  P  P1  1  0.00000000  0.00000000  0.00000000  1.0
  F  F2  1  0.78187259  0.07719052  0.73649148  1.0
  F  F3  1  0.07719052  0.73649148  0.78187259  1.0
  F  F4  1  0.26350852  0.21812741  0.92280948  1.0
  F  F5  1  0.92280948  0.26350852  0.21812741  1.0
  F  F6  1  0.21812741  0.92280948  0.26350852  1.0
  F  F7  1  0.73649148  0.78187259  0.07719052  1.0