# generated using pymatgen
data_Th3Mg3Hg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94278706
_cell_length_b   7.94278830
_cell_length_c   4.09056825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Mg3Hg2Ir
_chemical_formula_sum   'Th3 Mg3 Hg2 Ir1'
_cell_volume   223.49108502
_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  0.59852186  0.03019526  0.00000000  1.0
  Th  Th1  1  0.96980474  0.56832660  0.00000000  1.0
  Th  Th2  1  0.43167340  0.40147814  0.00000000  1.0
  Mg  Mg3  1  0.24690045  0.99627014  0.50000000  1.0
  Mg  Mg4  1  0.00372986  0.25062931  0.50000000  1.0
  Mg  Mg5  1  0.74937069  0.75309955  0.50000000  1.0
  Hg  Hg6  1  0.33333300  0.66666700  0.50000000  1.0
  Hg  Hg7  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir8  1  0.66666700  0.33333300  0.50000000  1.0