# generated using pymatgen
data_KHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25098426
_cell_length_b   6.59950031
_cell_length_c   6.59949991
_cell_angle_alpha   73.92164688
_cell_angle_beta   66.55729150
_cell_angle_gamma   66.55728227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHg2
_chemical_formula_sum   'K2 Hg4'
_cell_volume   190.57900673
_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  0.04916555  0.70083445  0.70083445  1.0
  K  K1  1  0.95083445  0.29916555  0.29916555  1.0
  Hg  Hg2  1  0.66285669  0.28371158  0.89057403  1.0
  Hg  Hg3  1  0.33714431  0.71628842  0.10942597  1.0
  Hg  Hg4  1  0.66285669  0.89057403  0.28371158  1.0
  Hg  Hg5  1  0.33714431  0.10942597  0.71628842  1.0