# generated using pymatgen
data_Th2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86903589
_cell_length_b   6.24324924
_cell_length_c   6.24325096
_cell_angle_alpha   77.23643176
_cell_angle_beta   61.96373052
_cell_angle_gamma   61.96374165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Hg
_chemical_formula_sum   'Th4 Hg2'
_cell_volume   178.22373992
_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  0.15369445  0.50000000  0.19261009  1.0
  Th  Th1  1  0.34630555  0.80738991  0.50000000  1.0
  Th  Th2  1  0.65369445  0.19261009  0.50000000  1.0
  Th  Th3  1  0.84630555  0.50000000  0.80738991  1.0
  Hg  Hg4  1  0.25000000  0.00000000  -0.00000000  1.0
  Hg  Hg5  1  0.75000000  -0.00000000  -0.00000000  1.0