# generated using pymatgen
data_Sc6Ti4Al12Ru7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78191657
_cell_length_b   8.78191681
_cell_length_c   8.78191632
_cell_angle_alpha   60.00000555
_cell_angle_beta   60.00000465
_cell_angle_gamma   60.00000186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Ti4Al12Ru7
_chemical_formula_sum   'Sc6 Ti4 Al12 Ru7'
_cell_volume   478.90895977
_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
  Sc  Sc0  1  0.70960547  0.70960547  0.29039453  1.0
  Sc  Sc1  1  0.29039453  0.70960547  0.29039453  1.0
  Sc  Sc2  1  0.70960547  0.29039453  0.29039453  1.0
  Sc  Sc3  1  0.29039453  0.29039453  0.70960547  1.0
  Sc  Sc4  1  0.70960547  0.29039453  0.70960547  1.0
  Sc  Sc5  1  0.29039453  0.70960547  0.70960547  1.0
  Ti  Ti6  1  0.88043253  0.88043253  0.35870240  1.0
  Ti  Ti7  1  0.88043253  0.35870240  0.88043253  1.0
  Ti  Ti8  1  0.35870240  0.88043253  0.88043253  1.0
  Ti  Ti9  1  0.88043253  0.88043253  0.88043253  1.0
  Al  Al10  1  0.12012747  0.12012747  0.63961659  1.0
  Al  Al11  1  0.12012747  0.63961659  0.12012747  1.0
  Al  Al12  1  0.63961659  0.12012747  0.12012747  1.0
  Al  Al13  1  0.12012747  0.12012747  0.12012747  1.0
  Al  Al14  1  0.66700871  0.66700871  0.99897387  1.0
  Al  Al15  1  0.66700871  0.99897387  0.66700871  1.0
  Al  Al16  1  0.99897387  0.66700871  0.66700871  1.0
  Al  Al17  1  0.66700871  0.66700871  0.66700871  1.0
  Al  Al18  1  0.33343866  0.33343866  0.99968301  1.0
  Al  Al19  1  0.33343866  0.99968301  0.33343866  1.0
  Al  Al20  1  0.99968301  0.33343866  0.33343866  1.0
  Al  Al21  1  0.33343866  0.33343866  0.33343866  1.0
  Ru  Ru22  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru23  1  0.99844107  0.99844107  0.50155893  1.0
  Ru  Ru24  1  0.50155893  0.99844107  0.50155893  1.0
  Ru  Ru25  1  0.99844107  0.50155893  0.50155893  1.0
  Ru  Ru26  1  0.50155893  0.50155893  0.99844107  1.0
  Ru  Ru27  1  0.99844107  0.50155893  0.99844107  1.0
  Ru  Ru28  1  0.50155893  0.99844107  0.99844107  1.0