# generated using pymatgen
data_ThHgN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09822894
_cell_length_b   4.09822894
_cell_length_c   7.97849529
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThHgN
_chemical_formula_sum   'Th2 Hg2 N2'
_cell_volume   134.00266139
_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  0.50000000  0.85804681  1.0
  Th  Th1  1  0.50000000  0.00000000  0.14195319  1.0
  Hg  Hg2  1  0.50000000  0.00000000  0.59346169  1.0
  Hg  Hg3  1  0.00000000  0.50000000  0.40653831  1.0
  N  N4  1  0.00000000  0.00000000  0.00000000  1.0
  N  N5  1  0.50000000  0.50000000  0.00000000  1.0