# generated using pymatgen
data_KHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63158513
_cell_length_b   6.78575914
_cell_length_c   7.06632928
_cell_angle_alpha   106.76661118
_cell_angle_beta   101.80418003
_cell_angle_gamma   92.00099306
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHg
_chemical_formula_sum   'K4 Hg4'
_cell_volume   296.52964185
_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  0.33088311  0.20062418  0.85322938  1.0
  K  K1  1  0.66911689  0.79937582  0.14677062  1.0
  K  K2  1  0.75720201  0.34061303  0.53403046  1.0
  K  K3  1  0.24279799  0.65938697  0.46596954  1.0
  Hg  Hg4  1  0.11705630  0.70056843  0.95154389  1.0
  Hg  Hg5  1  0.88294370  0.29943157  0.04845611  1.0
  Hg  Hg6  1  0.80003354  0.89815843  0.70816092  1.0
  Hg  Hg7  1  0.19996646  0.10184157  0.29183908  1.0