# generated using pymatgen
data_ThHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87849922
_cell_length_b   4.87850018
_cell_length_c   7.56121989
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThHg2
_chemical_formula_sum   'Th2 Hg4'
_cell_volume   155.84579652
_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
  Th  Th0  1  -0.00000000  -0.00000000  0.25000000  1.0
  Th  Th1  1  0.00000000  -0.00000000  0.75000000  1.0
  Hg  Hg2  1  0.33333300  0.66666700  0.04387316  1.0
  Hg  Hg3  1  0.66666700  0.33333300  0.54387316  1.0
  Hg  Hg4  1  0.66666700  0.33333300  0.95612684  1.0
  Hg  Hg5  1  0.33333300  0.66666700  0.45612684  1.0