# generated using pymatgen
data_Th6Al6Ir5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19143832
_cell_length_b   7.19143864
_cell_length_c   8.43290137
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6Al6Ir5Au
_chemical_formula_sum   'Th6 Al6 Ir5 Au1'
_cell_volume   377.69321108
_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  0.58410316  0.00516267  0.74391511  1.0
  Th  Th1  1  0.99483733  0.57894049  0.74391511  1.0
  Th  Th2  1  0.42105951  0.41589684  0.74391511  1.0
  Th  Th3  1  0.99481387  0.57892691  0.25609021  1.0
  Th  Th4  1  0.58411304  0.00518613  0.25609021  1.0
  Th  Th5  1  0.42107309  0.41588696  0.25609021  1.0
  Al  Al6  1  0.78015859  0.76899305  0.99999587  1.0
  Al  Al7  1  0.23100695  0.01116454  0.99999587  1.0
  Al  Al8  1  0.98883546  0.21984141  0.99999587  1.0
  Al  Al9  1  0.77229018  0.77410695  0.50000374  1.0
  Al  Al10  1  0.22589305  0.99818423  0.50000374  1.0
  Al  Al11  1  0.00181577  0.22770982  0.50000374  1.0
  Ir  Ir12  1  0.00000000  0.00000000  0.74936590  1.0
  Ir  Ir13  1  0.00000000  0.00000000  0.25061982  1.0
  Ir  Ir14  1  0.66666700  0.33333300  0.99997161  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.50002345  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.50000720  1.0
  Au  Au17  1  0.33333300  0.66666700  0.99999822  1.0