# generated using pymatgen
data_HgAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85820170
_cell_length_b   5.85820170
_cell_length_c   4.98261377
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999296
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAu3
_chemical_formula_sum   'Hg2 Au6'
_cell_volume   148.08686083
_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
  Hg  Hg0  1  0.33333300  0.66666700  0.75000000  1.0
  Hg  Hg1  1  0.66666700  0.33333300  0.25000000  1.0
  Au  Au2  1  0.16516376  0.33032752  0.25000000  1.0
  Au  Au3  1  0.66967248  0.83483624  0.25000000  1.0
  Au  Au4  1  0.16516376  0.83483624  0.25000000  1.0
  Au  Au5  1  0.83483624  0.66967248  0.75000000  1.0
  Au  Au6  1  0.33032752  0.16516376  0.75000000  1.0
  Au  Au7  1  0.83483624  0.16516376  0.75000000  1.0