# generated using pymatgen
data_Th3IrAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84070072
_cell_length_b   7.84070033
_cell_length_c   3.81013935
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3IrAu5
_chemical_formula_sum   'Th3 Ir1 Au5'
_cell_volume   202.85288384
_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  0.40772050  0.02002264  0.50000000  1.0
  Th  Th1  1  0.97997736  0.38769786  0.50000000  1.0
  Th  Th2  1  0.61230214  0.59227950  0.50000000  1.0
  Ir  Ir3  1  0.66666700  0.33333300  0.00000000  1.0
  Au  Au4  1  0.72368980  0.99301557  0.00000000  1.0
  Au  Au5  1  0.00698443  0.73067423  0.00000000  1.0
  Au  Au6  1  0.26932577  0.27631020  0.00000000  1.0
  Au  Au7  1  0.33333300  0.66666700  0.00000000  1.0
  Au  Au8  1  0.00000000  0.00000000  0.50000000  1.0