# generated using pymatgen
data_Th3Sc2Ir2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16505772
_cell_length_b   8.21018360
_cell_length_c   8.26588481
_cell_angle_alpha   119.77734122
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc2Ir2Ru
_chemical_formula_sum   'Th6 Sc4 Ir4 Ru2'
_cell_volume   363.14497446
_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  0.75000000  0.74016431  0.74530179  1.0
  Th  Th1  1  0.25000000  0.25983569  0.25469821  1.0
  Th  Th2  1  0.75000000  0.99486352  0.25469821  1.0
  Th  Th3  1  0.25000000  0.00513648  0.74530179  1.0
  Th  Th4  1  0.75000000  0.26658780  0.00000000  1.0
  Th  Th5  1  0.25000000  0.73341220  1.00000000  1.0
  Sc  Sc6  1  0.00000000  0.66986593  0.33973085  1.0
  Sc  Sc7  1  0.00000000  0.33013407  0.66026915  1.0
  Sc  Sc8  1  0.50000000  0.33013407  0.66026915  1.0
  Sc  Sc9  1  0.50000000  0.66986593  0.33973085  1.0
  Ir  Ir10  1  0.75000000  0.38964506  0.39045273  1.0
  Ir  Ir11  1  0.25000000  0.61035494  0.60954727  1.0
  Ir  Ir12  1  0.75000000  0.99919234  0.60954727  1.0
  Ir  Ir13  1  0.25000000  0.00080766  0.39045273  1.0
  Ru  Ru14  1  0.75000000  0.61692539  0.00000000  1.0
  Ru  Ru15  1  0.25000000  0.38307461  1.00000000  1.0