# generated using pymatgen
data_KHF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18800893
_cell_length_b   5.18800805
_cell_length_c   5.18800787
_cell_angle_alpha   99.47861031
_cell_angle_beta   114.68696452
_cell_angle_gamma   114.68696299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHF2
_chemical_formula_sum   'K2 H2 F4'
_cell_volume   105.10416729
_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
  H  H2  1  0.50000000  0.50000000  -0.00000000  1.0
  H  H3  1  0.50000000  -0.00000000  0.50000000  1.0
  F  F4  1  0.21187717  0.35593758  0.85593758  1.0
  F  F5  1  0.50000000  0.85593758  0.64406242  1.0
  F  F6  1  0.78812283  0.64406242  0.14406242  1.0
  F  F7  1  0.50000000  0.14406242  0.35593758  1.0