# generated using pymatgen
data_Sc8B24IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48379285
_cell_length_b   8.86685548
_cell_length_c   11.17227544
_cell_angle_alpha   90.01922003
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8B24IrRu3
_chemical_formula_sum   'Sc8 B24 Ir1 Ru3'
_cell_volume   345.11478284
_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  0.50000000  0.31374799  0.41517778  1.0
  Sc  Sc1  1  0.50000000  0.68352355  0.58979369  1.0
  Sc  Sc2  1  0.50000000  0.18286980  0.91324390  1.0
  Sc  Sc3  1  0.50000000  0.82013300  0.08260546  1.0
  Sc  Sc4  1  0.50000000  0.44179857  0.12475611  1.0
  Sc  Sc5  1  0.50000000  0.55598497  0.87345758  1.0
  Sc  Sc6  1  0.50000000  0.05605071  0.62671746  1.0
  Sc  Sc7  1  0.50000000  0.94617518  0.37396108  1.0
  B  B8  1  0.00000000  0.10306441  0.47180933  1.0
  B  B9  1  0.00000000  0.89651815  0.52831925  1.0
  B  B10  1  0.00000000  0.39661929  0.97159517  1.0
  B  B11  1  0.00000000  0.60347102  0.02832190  1.0
  B  B12  1  0.00000000  0.12990647  0.31757849  1.0
  B  B13  1  0.00000000  0.86999223  0.68283739  1.0
  B  B14  1  0.00000000  0.37013136  0.81723792  1.0
  B  B15  1  0.00000000  0.63019916  0.18128845  1.0
  B  B16  1  0.00000000  0.05361255  0.06487392  1.0
  B  B17  1  0.00000000  0.94667411  0.93478604  1.0
  B  B18  1  0.00000000  0.44621188  0.56504541  1.0
  B  B19  1  0.00000000  0.55332678  0.43586840  1.0
  B  B20  1  0.00000000  0.47890906  0.28679728  1.0
  B  B21  1  0.00000000  0.52026332  0.71310726  1.0
  B  B22  1  0.00000000  0.02042027  0.78705212  1.0
  B  B23  1  0.00000000  0.97977437  0.21288769  1.0
  B  B24  1  0.00000000  0.25122366  0.07856173  1.0
  B  B25  1  0.00000000  0.74872024  0.92110359  1.0
  B  B26  1  0.00000000  0.24827229  0.57902030  1.0
  B  B27  1  0.00000000  0.75222109  0.42240601  1.0
  B  B28  1  0.00000000  0.29341229  0.23600907  1.0
  B  B29  1  0.00000000  0.70638940  0.76419456  1.0
  B  B30  1  0.00000000  0.20655228  0.73589469  1.0
  B  B31  1  0.00000000  0.79398544  0.26358264  1.0
  Ir  Ir32  1  0.50000000  0.63832833  0.32073437  1.0
  Ru  Ru33  1  0.50000000  0.13857939  0.17984848  1.0
  Ru  Ru34  1  0.50000000  0.86131699  0.82035563  1.0
  Ru  Ru35  1  0.50000000  0.36162238  0.67917083  1.0