# generated using pymatgen
data_Sc8Al(B8Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46001109
_cell_length_b   8.90746786
_cell_length_c   11.21701994
_cell_angle_alpha   90.01792046
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Al(B8Ir)3
_chemical_formula_sum   'Sc8 Al1 B24 Ir3'
_cell_volume   345.70783744
_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  0.31375318  0.40889118  1.0
  Sc  Sc1  1  0.50000000  0.68137766  0.58362771  1.0
  Sc  Sc2  1  0.50000000  0.18093943  0.91877627  1.0
  Sc  Sc3  1  0.50000000  0.82353937  0.08825999  1.0
  Sc  Sc4  1  0.50000000  0.44366980  0.12610430  1.0
  Sc  Sc5  1  0.50000000  0.55679776  0.87480699  1.0
  Sc  Sc6  1  0.50000000  0.05534144  0.62611364  1.0
  Sc  Sc7  1  0.50000000  0.94667387  0.37361540  1.0
  Al  Al8  1  0.50000000  0.13875812  0.17960709  1.0
  B  B9  1  0.00000000  0.10299219  0.47222130  1.0
  B  B10  1  0.00000000  0.89772703  0.52794714  1.0
  B  B11  1  0.00000000  0.39725564  0.97182633  1.0
  B  B12  1  0.00000000  0.60287293  0.02830013  1.0
  B  B13  1  0.00000000  0.13107835  0.31881726  1.0
  B  B14  1  0.00000000  0.86838831  0.68042325  1.0
  B  B15  1  0.00000000  0.36844712  0.81941509  1.0
  B  B16  1  0.00000000  0.63097888  0.18285648  1.0
  B  B17  1  0.00000000  0.05181991  0.06348435  1.0
  B  B18  1  0.00000000  0.94700727  0.93607407  1.0
  B  B19  1  0.00000000  0.44634277  0.56403069  1.0
  B  B20  1  0.00000000  0.55218935  0.43501364  1.0
  B  B21  1  0.00000000  0.47853301  0.28740850  1.0
  B  B22  1  0.00000000  0.52019128  0.71317842  1.0
  B  B23  1  0.00000000  0.02000853  0.78770735  1.0
  B  B24  1  0.00000000  0.97795545  0.21247922  1.0
  B  B25  1  0.00000000  0.25252798  0.07759695  1.0
  B  B26  1  0.00000000  0.74904134  0.92303266  1.0
  B  B27  1  0.00000000  0.24733276  0.57745966  1.0
  B  B28  1  0.00000000  0.75407522  0.42072426  1.0
  B  B29  1  0.00000000  0.29728432  0.23741991  1.0
  B  B30  1  0.00000000  0.70478184  0.76236907  1.0
  B  B31  1  0.00000000  0.20493747  0.73685259  1.0
  B  B32  1  0.00000000  0.79627385  0.26337559  1.0
  Ir  Ir33  1  0.50000000  0.85795761  0.81778717  1.0
  Ir  Ir34  1  0.50000000  0.36085295  0.68013502  1.0
  Ir  Ir35  1  0.50000000  0.64029504  0.32226133  1.0