# generated using pymatgen
data_KHgF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40393385
_cell_length_b   6.41619267
_cell_length_c   9.04877947
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgF3
_chemical_formula_sum   'K4 Hg4 F12'
_cell_volume   371.80415432
_cell_formula_units_Z   4
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  -0.00000000  0.75000000  1.0
  K  K1  1  0.50000000  0.50000000  0.75000000  1.0
  K  K2  1  0.50000000  0.50000000  0.25000000  1.0
  K  K3  1  -0.00000000  0.00000000  0.25000000  1.0
  Hg  Hg4  1  -0.00000000  0.50000000  0.00000000  1.0
  Hg  Hg5  1  0.50000000  -0.00000000  0.50000000  1.0
  Hg  Hg6  1  0.50000000  0.00000000  -0.00000000  1.0
  Hg  Hg7  1  -0.00000000  0.50000000  0.50000000  1.0
  F  F8  1  0.75000000  0.75000000  0.50000000  1.0
  F  F9  1  0.25000000  0.75000000  -0.00000000  1.0
  F  F10  1  0.75000000  0.25000000  0.50000000  1.0
  F  F11  1  0.25000000  0.25000000  0.00000000  1.0
  F  F12  1  0.25000000  0.25000000  0.50000000  1.0
  F  F13  1  0.75000000  0.25000000  -0.00000000  1.0
  F  F14  1  0.25000000  0.75000000  0.50000000  1.0
  F  F15  1  0.75000000  0.75000000  -0.00000000  1.0
  F  F16  1  0.00000000  0.50000000  0.75000000  1.0
  F  F17  1  0.50000000  0.00000000  0.75000000  1.0
  F  F18  1  0.50000000  0.00000000  0.25000000  1.0
  F  F19  1  -0.00000000  0.50000000  0.25000000  1.0