# generated using pymatgen
data_LaTh3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62342048
_cell_length_b   7.62653050
_cell_length_c   9.50678636
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.43619242
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTh3(Al3Ir)6
_chemical_formula_sum   'La1 Th3 Al18 Ir6'
_cell_volume   481.37183734
_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
  La  La0  1  0.32939203  0.00571466  0.75000000  1.0
  Th  Th1  1  0.99499943  0.67158381  0.25000000  1.0
  Th  Th2  1  0.00449369  0.32914316  0.75000000  1.0
  Th  Th3  1  0.67065431  0.99422400  0.25000000  1.0
  Al  Al4  1  0.13454223  0.13403535  0.25000000  1.0
  Al  Al5  1  0.86616909  0.86735191  0.75000000  1.0
  Al  Al6  1  0.00607448  0.33581461  0.07408204  1.0
  Al  Al7  1  0.99601597  0.66623009  0.92617209  1.0
  Al  Al8  1  0.99601597  0.66623009  0.57382791  1.0
  Al  Al9  1  0.33575121  0.00589711  0.42795585  1.0
  Al  Al10  1  0.00607448  0.33581461  0.42591796  1.0
  Al  Al11  1  0.66265225  0.99415829  0.57372715  1.0
  Al  Al12  1  0.66265225  0.99415829  0.92627285  1.0
  Al  Al13  1  0.33575121  0.00589711  0.07204415  1.0
  Al  Al14  1  0.33644816  0.33549905  0.54629384  1.0
  Al  Al15  1  0.66298497  0.66284467  0.45454221  1.0
  Al  Al16  1  0.66298497  0.66284467  0.04545779  1.0
  Al  Al17  1  0.33644816  0.33549905  0.95370616  1.0
  Al  Al18  1  0.34154376  0.54445875  0.25000000  1.0
  Al  Al19  1  0.66000829  0.45467465  0.75000000  1.0
  Al  Al20  1  0.54516561  0.34087437  0.25000000  1.0
  Al  Al21  1  0.45381027  0.65730604  0.75000000  1.0
  Ir  Ir22  1  0.67454571  0.32922604  0.00165974  1.0
  Ir  Ir23  1  0.32756645  0.67113808  0.00188094  1.0
  Ir  Ir24  1  0.32756645  0.67113808  0.49811906  1.0
  Ir  Ir25  1  0.67454571  0.32922604  0.49834026  1.0
  Ir  Ir26  1  0.99757095  0.99950820  0.00213359  1.0
  Ir  Ir27  1  0.99757095  0.99950820  0.49786641  1.0