# generated using pymatgen
data_Th6IrAu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15667251
_cell_length_b   8.15667187
_cell_length_c   8.15667187
_cell_angle_alpha   113.48636534
_cell_angle_beta   113.48637053
_cell_angle_gamma   113.48636802
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6IrAu7
_chemical_formula_sum   'Th6 Ir1 Au7'
_cell_volume   341.89522675
_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  0.27068202  0.38510804  0.02125075  1.0
  Th  Th1  1  0.02125075  0.27068202  0.38510804  1.0
  Th  Th2  1  0.38510804  0.02124975  0.27068302  1.0
  Th  Th3  1  0.72931898  0.61489396  0.97875125  1.0
  Th  Th4  1  0.97875125  0.72931898  0.61489396  1.0
  Th  Th5  1  0.61489396  0.97875225  0.72931898  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au7  1  0.58966487  0.24593456  0.08639351  1.0
  Au  Au8  1  0.08639351  0.58966487  0.24593356  1.0
  Au  Au9  1  0.24593256  0.08639451  0.58966487  1.0
  Au  Au10  1  0.41033613  0.75406744  0.91360749  1.0
  Au  Au11  1  0.91360849  0.41033613  0.75406744  1.0
  Au  Au12  1  0.75406844  0.91360649  0.41033613  1.0
  Au  Au13  1  0.49999900  0.49999900  0.49999900  1.0