# generated using pymatgen
data_Th6In9Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57999078
_cell_length_b   6.57999136
_cell_length_c   10.47357234
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.25829253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6In9Hg
_chemical_formula_sum   'Th6 In9 Hg1'
_cell_volume   443.12788030
_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  0.13809471  0.13809471  0.75000000  1.0
  Th  Th1  1  0.86433333  0.86433333  0.25000000  1.0
  Th  Th2  1  0.70445134  0.29475213  0.00101729  1.0
  Th  Th3  1  0.70445134  0.29475213  0.49898271  1.0
  Th  Th4  1  0.29475213  0.70445134  0.00101729  1.0
  Th  Th5  1  0.29475213  0.70445134  0.49898271  1.0
  In  In6  1  0.47735397  0.47735397  0.25000000  1.0
  In  In7  1  0.81031219  0.81031219  0.55054490  1.0
  In  In8  1  0.18880150  0.18880150  0.44986644  1.0
  In  In9  1  0.81031219  0.81031219  0.94945510  1.0
  In  In10  1  0.18880150  0.18880150  0.05013356  1.0
  In  In11  1  0.99863682  0.58345318  0.75000000  1.0
  In  In12  1  0.41950842  0.00469846  0.25000000  1.0
  In  In13  1  0.00469846  0.41950842  0.25000000  1.0
  In  In14  1  0.58345318  0.99863682  0.75000000  1.0
  Hg  Hg15  1  0.51728579  0.51728579  0.75000000  1.0