# generated using pymatgen
data_BaHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38497762
_cell_length_b   7.38498027
_cell_length_c   5.20529973
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHg3
_chemical_formula_sum   'Ba2 Hg6'
_cell_volume   245.85265808
_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
  Ba  Ba0  1  0.33333300  0.66666600  0.75000000  1.0
  Ba  Ba1  1  0.66666600  0.33333200  0.25000200  1.0
  Hg  Hg2  1  0.14617784  0.29235667  0.25000200  1.0
  Hg  Hg3  1  0.70764333  0.85382216  0.25000200  1.0
  Hg  Hg4  1  0.14617884  0.85382216  0.25000200  1.0
  Hg  Hg5  1  0.85382116  0.70764233  0.75000000  1.0
  Hg  Hg6  1  0.29235667  0.14617784  0.75000000  1.0
  Hg  Hg7  1  0.85382116  0.14617784  0.75000000  1.0