# generated using pymatgen
data_Y3Al12IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77737552
_cell_length_b   8.77547517
_cell_length_c   9.48589413
_cell_angle_alpha   90.09334452
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00716376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Al12IrRu3
_chemical_formula_sum   'Y6 Al24 Ir2 Ru6'
_cell_volume   632.72078623
_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
  Y  Y0  1  0.19332601  0.80727642  0.24993553  1.0
  Y  Y1  1  0.19270373  0.38540746  0.24952693  1.0
  Y  Y2  1  0.61394941  0.80727642  0.24993553  1.0
  Y  Y3  1  0.80667399  0.19272358  0.75006447  1.0
  Y  Y4  1  0.80729627  0.61459254  0.75047307  1.0
  Y  Y5  1  0.38605059  0.19272358  0.75006447  1.0
  Al  Al6  1  0.56159524  0.43865379  0.24925410  1.0
  Al  Al7  1  0.56099560  0.12199221  0.25066134  1.0
  Al  Al8  1  0.87705856  0.43865379  0.24925410  1.0
  Al  Al9  1  0.43840476  0.56134621  0.75074590  1.0
  Al  Al10  1  0.43900440  0.87800779  0.74933866  1.0
  Al  Al11  1  0.12294144  0.56134621  0.75074590  1.0
  Al  Al12  1  0.32472029  0.16098267  0.42320187  1.0
  Al  Al13  1  0.83626238  0.16098267  0.42320187  1.0
  Al  Al14  1  0.83754264  0.67508627  0.42387288  1.0
  Al  Al15  1  0.67527971  0.83901733  0.57679813  1.0
  Al  Al16  1  0.16373762  0.83901733  0.57679813  1.0
  Al  Al17  1  0.16245736  0.32491373  0.57612712  1.0
  Al  Al18  1  0.67476648  0.83740530  0.92334157  1.0
  Al  Al19  1  0.16263882  0.83740530  0.92334157  1.0
  Al  Al20  1  0.16252900  0.32505800  0.92307897  1.0
  Al  Al21  1  0.32523352  0.16259470  0.07665843  1.0
  Al  Al22  1  0.83736118  0.16259470  0.07665843  1.0
  Al  Al23  1  0.83747100  0.67494200  0.07692103  1.0
  Al  Al24  1  0.66569203  0.33138506  0.51011297  1.0
  Al  Al25  1  0.33430797  0.66861494  0.48988703  1.0
  Al  Al26  1  0.33341265  0.66682631  0.01062540  1.0
  Al  Al27  1  0.66658735  0.33317369  0.98937460  1.0
  Al  Al28  1  0.00010665  0.00021430  0.24997743  1.0
  Al  Al29  1  0.99989335  0.99978570  0.75002257  1.0
  Ir  Ir30  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru32  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru33  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru34  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru35  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru36  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru37  1  0.00000000  0.50000000  0.00000000  1.0