# generated using pymatgen
data_Sc3Al12Ir3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63779861
_cell_length_b   8.63779795
_cell_length_c   9.32658190
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Al12Ir3Ru
_chemical_formula_sum   'Sc6 Al24 Ir6 Ru2'
_cell_volume   602.64181320
_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
  Sc  Sc0  1  0.38534289  0.19267094  0.25000000  1.0
  Sc  Sc1  1  0.80732906  0.19267094  0.25000000  1.0
  Sc  Sc2  1  0.80732906  0.61465711  0.25000000  1.0
  Sc  Sc3  1  0.61465711  0.80732906  0.75000000  1.0
  Sc  Sc4  1  0.19267094  0.80732906  0.75000000  1.0
  Sc  Sc5  1  0.19267094  0.38534289  0.75000000  1.0
  Al  Al6  1  0.43889760  0.87779520  0.25000000  1.0
  Al  Al7  1  0.12220480  0.56110240  0.25000000  1.0
  Al  Al8  1  0.43889760  0.56110240  0.25000000  1.0
  Al  Al9  1  0.56110240  0.12220480  0.75000000  1.0
  Al  Al10  1  0.87779520  0.43889760  0.75000000  1.0
  Al  Al11  1  0.56110240  0.43889760  0.75000000  1.0
  Al  Al12  1  0.16340897  0.83659103  0.42342354  1.0
  Al  Al13  1  0.16340897  0.32681794  0.42342354  1.0
  Al  Al14  1  0.67318206  0.83659103  0.42342354  1.0
  Al  Al15  1  0.83659103  0.16340897  0.57657646  1.0
  Al  Al16  1  0.83659103  0.67318206  0.57657646  1.0
  Al  Al17  1  0.32681794  0.16340897  0.57657646  1.0
  Al  Al18  1  0.83659103  0.16340897  0.92342354  1.0
  Al  Al19  1  0.83659103  0.67318206  0.92342354  1.0
  Al  Al20  1  0.32681794  0.16340897  0.92342354  1.0
  Al  Al21  1  0.16340897  0.83659103  0.07657646  1.0
  Al  Al22  1  0.16340897  0.32681794  0.07657646  1.0
  Al  Al23  1  0.67318206  0.83659103  0.07657646  1.0
  Al  Al24  1  0.33333300  0.66666700  0.54055561  1.0
  Al  Al25  1  0.66666700  0.33333300  0.45944439  1.0
  Al  Al26  1  0.66666700  0.33333300  0.04055561  1.0
  Al  Al27  1  0.33333300  0.66666700  0.95944439  1.0
  Al  Al28  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.75000000  1.0
  Ir  Ir30  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir32  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir33  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir34  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir35  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru36  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru37  1  0.00000000  0.00000000  0.00000000  1.0