# generated using pymatgen
data_Th2InHgN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09235653
_cell_length_b   4.09235653
_cell_length_c   8.27196328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2InHgN2
_chemical_formula_sum   'Th2 In1 Hg1 N2'
_cell_volume   138.53372880
_cell_formula_units_Z   1
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  0.86678938  1.0
  Th  Th1  1  0.50000000  0.00000000  0.14136936  1.0
  In  In2  1  0.50000000  0.00000000  0.56987430  1.0
  Hg  Hg3  1  0.00000000  0.50000000  0.41377772  1.0
  N  N4  1  0.00000000  0.00000000  0.00409462  1.0
  N  N5  1  0.50000000  0.50000000  0.00409462  1.0