# generated using pymatgen
data_Sc11Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45442554
_cell_length_b   9.45442541
_cell_length_c   9.45442847
_cell_angle_alpha   59.99964312
_cell_angle_beta   59.99963138
_cell_angle_gamma   59.99962500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc11Ir4
_chemical_formula_sum   'Sc22 Ir8'
_cell_volume   597.56748212
_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  0.84344928  0.84344870  0.84344890  1.0
  Sc  Sc1  1  0.15655192  0.15655161  0.53034493  1.0
  Sc  Sc2  1  0.15655228  0.53034456  0.15655138  1.0
  Sc  Sc3  1  0.53034024  0.15655347  0.15655309  1.0
  Sc  Sc4  1  0.84344644  0.46965908  0.84344702  1.0
  Sc  Sc5  1  0.46965387  0.84344831  0.84344853  1.0
  Sc  Sc6  1  0.84344667  0.84344675  0.46965902  1.0
  Sc  Sc7  1  0.15655437  0.15655376  0.15655342  1.0
  Sc  Sc8  1  0.80217254  0.19782741  0.19782697  1.0
  Sc  Sc9  1  0.80216959  0.80217179  0.19783081  1.0
  Sc  Sc10  1  0.19782772  0.19783049  0.80217206  1.0
  Sc  Sc11  1  0.80216924  0.19783119  0.80217190  1.0
  Sc  Sc12  1  0.19782799  0.80217190  0.19783013  1.0
  Sc  Sc13  1  0.19783189  0.80216832  0.80216878  1.0
  Sc  Sc14  1  0.38270334  0.38270419  0.38270360  1.0
  Sc  Sc15  1  0.61729581  0.61729738  0.14811331  1.0
  Sc  Sc16  1  0.14811428  0.61729581  0.61729676  1.0
  Sc  Sc17  1  0.61729535  0.14811329  0.61729798  1.0
  Sc  Sc18  1  0.85188868  0.38270439  0.38270375  1.0
  Sc  Sc19  1  0.38270397  0.85188787  0.38270479  1.0
  Sc  Sc20  1  0.38270376  0.38270493  0.85188800  1.0
  Sc  Sc21  1  0.61729484  0.61729545  0.61729588  1.0
  Ir  Ir22  1  0.50000158  0.99999087  0.50000351  1.0
  Ir  Ir23  1  0.00000254  0.50000529  0.99999201  1.0
  Ir  Ir24  1  -0.00000370  0.50000120  0.50000171  1.0
  Ir  Ir25  1  0.50000187  0.50000330  0.99999058  1.0
  Ir  Ir26  1  0.00000228  0.99999233  0.50000551  1.0
  Ir  Ir27  1  0.50000596  -0.00000370  -0.00000423  1.0
  Ir  Ir28  1  0.50000248  0.49999842  0.49999888  1.0
  Ir  Ir29  1  0.00000092  0.99999766  0.99999700  1.0