# generated using pymatgen
data_Sc2B6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46935686
_cell_length_b   8.91535228
_cell_length_c   11.21034991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2B6Ir
_chemical_formula_sum   'Sc8 B24 Ir4'
_cell_volume   346.74216052
_cell_formula_units_Z   4
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  0.31773627  0.41436733  1.0
  Sc  Sc1  1  0.50000000  0.68226373  0.58563267  1.0
  Sc  Sc2  1  0.50000000  0.18226373  0.91436733  1.0
  Sc  Sc3  1  0.50000000  0.81773627  0.08563267  1.0
  Sc  Sc4  1  0.50000000  0.44455667  0.12496533  1.0
  Sc  Sc5  1  0.50000000  0.55544333  0.87503467  1.0
  Sc  Sc6  1  0.50000000  0.05544333  0.62496533  1.0
  Sc  Sc7  1  0.50000000  0.94455667  0.37503467  1.0
  B  B8  1  0.00000000  0.10376595  0.47176861  1.0
  B  B9  1  0.00000000  0.89623405  0.52823139  1.0
  B  B10  1  -0.00000000  0.39623405  0.97176861  1.0
  B  B11  1  -0.00000000  0.60376595  0.02823139  1.0
  B  B12  1  -0.00000000  0.13130357  0.31872789  1.0
  B  B13  1  0.00000000  0.86869643  0.68127211  1.0
  B  B14  1  -0.00000000  0.36869643  0.81872789  1.0
  B  B15  1  -0.00000000  0.63130357  0.18127211  1.0
  B  B16  1  -0.00000000  0.05413051  0.06356672  1.0
  B  B17  1  -0.00000000  0.94586949  0.93643328  1.0
  B  B18  1  -0.00000000  0.44586949  0.56356672  1.0
  B  B19  1  0.00000000  0.55413051  0.43643328  1.0
  B  B20  1  -0.00000000  0.47980796  0.28665102  1.0
  B  B21  1  -0.00000000  0.52019204  0.71334898  1.0
  B  B22  1  0.00000000  0.02019204  0.78665102  1.0
  B  B23  1  0.00000000  0.97980796  0.21334898  1.0
  B  B24  1  -0.00000000  0.25243111  0.07774010  1.0
  B  B25  1  -0.00000000  0.74756889  0.92225990  1.0
  B  B26  1  0.00000000  0.24756889  0.57774010  1.0
  B  B27  1  0.00000000  0.75243111  0.42225990  1.0
  B  B28  1  -0.00000000  0.29586032  0.23706675  1.0
  B  B29  1  -0.00000000  0.70413968  0.76293325  1.0
  B  B30  1  -0.00000000  0.20413968  0.73706675  1.0
  B  B31  1  0.00000000  0.79586032  0.26293325  1.0
  Ir  Ir32  1  0.50000000  0.14017291  0.17996238  1.0
  Ir  Ir33  1  0.50000000  0.85982709  0.82003762  1.0
  Ir  Ir34  1  0.50000000  0.35982709  0.67996238  1.0
  Ir  Ir35  1  0.50000000  0.64017291  0.32003762  1.0