# generated using pymatgen
data_Th2Al3(Ga2Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64176698
_cell_length_b   7.64542485
_cell_length_c   9.45052721
_cell_angle_alpha   90.21175658
_cell_angle_beta   89.89349527
_cell_angle_gamma   119.64736510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Al3(Ga2Ir)3
_chemical_formula_sum   'Th4 Al6 Ga12 Ir6'
_cell_volume   479.85650910
_cell_formula_units_Z   2
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  0.99845065  0.66768169  0.25119344  1.0
  Th  Th1  1  0.00154935  0.33231831  0.74880656  1.0
  Th  Th2  1  0.67175785  0.99938305  0.25638712  1.0
  Th  Th3  1  0.32824215  0.00061695  0.74361288  1.0
  Al  Al4  1  0.66268913  0.99300456  0.92948219  1.0
  Al  Al5  1  0.33731087  0.00699544  0.07051781  1.0
  Al  Al6  1  0.33620872  0.33653946  0.55008866  1.0
  Al  Al7  1  0.66379128  0.66346054  0.44991134  1.0
  Al  Al8  1  0.66448729  0.66435693  0.05253260  1.0
  Al  Al9  1  0.33551271  0.33564307  0.94746740  1.0
  Ga  Ga10  1  0.13485028  0.13169687  0.24894890  1.0
  Ga  Ga11  1  0.86514972  0.86830313  0.75105110  1.0
  Ga  Ga12  1  0.00346658  0.33258912  0.07626597  1.0
  Ga  Ga13  1  0.99653342  0.66741088  0.92373403  1.0
  Ga  Ga14  1  0.99152321  0.66391809  0.57778652  1.0
  Ga  Ga15  1  0.33484569  0.00608381  0.41825273  1.0
  Ga  Ga16  1  0.00847679  0.33608191  0.42221348  1.0
  Ga  Ga17  1  0.66515431  0.99391619  0.58174727  1.0
  Ga  Ga18  1  0.34827348  0.54753336  0.24988167  1.0
  Ga  Ga19  1  0.65172652  0.45246664  0.75011833  1.0
  Ga  Ga20  1  0.54591281  0.34677823  0.24864410  1.0
  Ga  Ga21  1  0.45408719  0.65322177  0.75135590  1.0
  Ir  Ir22  1  0.66845615  0.32566174  0.99878672  1.0
  Ir  Ir23  1  0.33154385  0.67433826  0.00121328  1.0
  Ir  Ir24  1  0.32965350  0.66969660  0.50092404  1.0
  Ir  Ir25  1  0.67034650  0.33030340  0.49907596  1.0
  Ir  Ir26  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir27  1  0.00000000  0.00000000  0.50000000  1.0