# generated using pymatgen
data_Th6Sc4Ir5Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19322591
_cell_length_b   8.23606811
_cell_length_c   8.26044948
_cell_angle_alpha   119.90241823
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6Sc4Ir5Ru
_chemical_formula_sum   'Th6 Sc4 Ir5 Ru1'
_cell_volume   365.25600431
_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
  Th  Th0  1  0.75000000  0.73890520  0.73955048  1.0
  Th  Th1  1  0.25000000  0.26281693  0.25662469  1.0
  Th  Th2  1  0.75000000  0.99935472  0.26044952  1.0
  Th  Th3  1  0.25000000  0.00619224  0.74337531  1.0
  Th  Th4  1  0.75000000  0.26049345  0.00000000  1.0
  Th  Th5  1  0.25000000  0.73555517  1.00000000  1.0
  Sc  Sc6  1  0.00049987  0.66918356  0.33629996  1.0
  Sc  Sc7  1  0.00049987  0.33288159  0.66370004  1.0
  Sc  Sc8  1  0.49950013  0.33288159  0.66370004  1.0
  Sc  Sc9  1  0.49950013  0.66918356  0.33629996  1.0
  Ir  Ir10  1  0.75000000  0.39043965  0.39099950  1.0
  Ir  Ir11  1  0.25000000  0.61265410  0.61239061  1.0
  Ir  Ir12  1  0.75000000  0.99944016  0.60900050  1.0
  Ir  Ir13  1  0.25000000  0.00026349  0.38760939  1.0
  Ir  Ir14  1  0.75000000  0.60786139  1.00000000  1.0
  Ru  Ru15  1  0.25000000  0.38189220  1.00000000  1.0