# generated using pymatgen
data_Th8Sc12Si15Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26365725
_cell_length_b   7.53721196
_cell_length_c   14.12735003
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.73444885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th8Sc12Si15Ir
_chemical_formula_sum   'Th8 Sc12 Si15 Ir1'
_cell_volume   773.43195714
_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  0.99884332  0.67322724  0.59704116  1.0
  Th  Th1  1  0.00437596  0.32253969  0.40382050  1.0
  Th  Th2  1  0.50252500  0.17236036  0.40400090  1.0
  Th  Th3  1  0.00437596  0.32253969  0.09617950  1.0
  Th  Th4  1  0.49772352  0.82650066  0.59589594  1.0
  Th  Th5  1  0.99884332  0.67322724  0.90295884  1.0
  Th  Th6  1  0.49772352  0.82650066  0.90410406  1.0
  Th  Th7  1  0.50252500  0.17236036  0.09599910  1.0
  Sc  Sc8  1  0.16446637  0.00203395  0.75000000  1.0
  Sc  Sc9  1  0.83265000  0.00128056  0.25000000  1.0
  Sc  Sc10  1  0.33316547  0.49536919  0.25000000  1.0
  Sc  Sc11  1  0.67455719  0.49902594  0.75000000  1.0
  Sc  Sc12  1  0.32912996  0.32851944  0.62765718  1.0
  Sc  Sc13  1  0.66364941  0.67277524  0.37343664  1.0
  Sc  Sc14  1  0.16219746  0.82472492  0.37518094  1.0
  Sc  Sc15  1  0.66364941  0.67277524  0.12656336  1.0
  Sc  Sc16  1  0.84255751  0.17908575  0.62773758  1.0
  Sc  Sc17  1  0.32912996  0.32851944  0.87234282  1.0
  Sc  Sc18  1  0.84255751  0.17908575  0.87226242  1.0
  Sc  Sc19  1  0.16219746  0.82472492  0.12481906  1.0
  Si  Si20  1  0.96180399  0.62016882  0.25000000  1.0
  Si  Si21  1  0.45828707  0.87567537  0.25000000  1.0
  Si  Si22  1  0.54128574  0.11647070  0.75000000  1.0
  Si  Si23  1  0.29778980  0.62798056  0.75000000  1.0
  Si  Si24  1  0.70388073  0.37271495  0.25000000  1.0
  Si  Si25  1  0.20353283  0.12102327  0.25000000  1.0
  Si  Si26  1  0.79117643  0.88097048  0.75000000  1.0
  Si  Si27  1  0.16665631  0.03645644  0.54036841  1.0
  Si  Si28  1  0.83384055  0.96067380  0.46060674  1.0
  Si  Si29  1  0.33882368  0.53641740  0.46132125  1.0
  Si  Si30  1  0.83384055  0.96067380  0.03939326  1.0
  Si  Si31  1  0.66024040  0.46278760  0.53810408  1.0
  Si  Si32  1  0.16665631  0.03645644  0.95963159  1.0
  Si  Si33  1  0.66024040  0.46278760  0.96189592  1.0
  Si  Si34  1  0.33882368  0.53641740  0.03867875  1.0
  Ir  Ir35  1  0.03628023  0.39514912  0.75000000  1.0