# generated using pymatgen
data_KHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11381718
_cell_length_b   7.11381750
_cell_length_c   5.45666280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHg3
_chemical_formula_sum   'K2 Hg6'
_cell_volume   239.14602958
_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  0.66666700  0.33333300  0.24999900  1.0
  K  K1  1  0.33333400  0.66666700  0.75000000  1.0
  Hg  Hg2  1  0.30688443  0.15344222  0.75000000  1.0
  Hg  Hg3  1  0.84655878  0.69311657  0.75000000  1.0
  Hg  Hg4  1  0.15344222  0.84655878  0.24999900  1.0
  Hg  Hg5  1  0.69311657  0.84655878  0.24999900  1.0
  Hg  Hg6  1  0.15344222  0.30688343  0.24999900  1.0
  Hg  Hg7  1  0.84655978  0.15344222  0.75000000  1.0