# generated using pymatgen
data_YbScB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53479307
_cell_length_b   8.95538154
_cell_length_c   11.32369759
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbScB6Ir
_chemical_formula_sum   'Yb4 Sc4 B24 Ir4'
_cell_volume   358.45640959
_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
  Yb  Yb0  1  0.50000000  0.32159933  0.41427144  1.0
  Yb  Yb1  1  0.50000000  0.67840067  0.58572856  1.0
  Yb  Yb2  1  0.50000000  0.17840067  0.91427144  1.0
  Yb  Yb3  1  0.50000000  0.82159933  0.08572856  1.0
  Sc  Sc4  1  0.50000000  0.44605661  0.12382063  1.0
  Sc  Sc5  1  0.50000000  0.55394339  0.87617937  1.0
  Sc  Sc6  1  0.50000000  0.05394339  0.62382063  1.0
  Sc  Sc7  1  0.50000000  0.94605661  0.37617937  1.0
  B  B8  1  0.00000000  0.10099728  0.47291179  1.0
  B  B9  1  0.00000000  0.89900272  0.52708821  1.0
  B  B10  1  0.00000000  0.39900272  0.97291179  1.0
  B  B11  1  0.00000000  0.60099728  0.02708821  1.0
  B  B12  1  0.00000000  0.13050842  0.31832759  1.0
  B  B13  1  0.00000000  0.86949158  0.68167241  1.0
  B  B14  1  0.00000000  0.36949158  0.81832759  1.0
  B  B15  1  0.00000000  0.63050842  0.18167241  1.0
  B  B16  1  0.00000000  0.05536719  0.06711237  1.0
  B  B17  1  0.00000000  0.94463281  0.93288763  1.0
  B  B18  1  0.00000000  0.44463281  0.56711237  1.0
  B  B19  1  0.00000000  0.55536719  0.43288763  1.0
  B  B20  1  0.00000000  0.48280493  0.28579058  1.0
  B  B21  1  0.00000000  0.51719507  0.71420942  1.0
  B  B22  1  0.00000000  0.01719507  0.78579058  1.0
  B  B23  1  0.00000000  0.98280493  0.21420942  1.0
  B  B24  1  0.00000000  0.25252838  0.08050828  1.0
  B  B25  1  0.00000000  0.74747162  0.91949172  1.0
  B  B26  1  0.00000000  0.24747162  0.58050828  1.0
  B  B27  1  0.00000000  0.75252838  0.41949172  1.0
  B  B28  1  0.00000000  0.29352411  0.23537757  1.0
  B  B29  1  0.00000000  0.70647589  0.76462243  1.0
  B  B30  1  0.00000000  0.20647589  0.73537757  1.0
  B  B31  1  0.00000000  0.79352411  0.26462243  1.0
  Ir  Ir32  1  0.50000000  0.14034444  0.18140691  1.0
  Ir  Ir33  1  0.50000000  0.85965556  0.81859309  1.0
  Ir  Ir34  1  0.50000000  0.35965556  0.68140691  1.0
  Ir  Ir35  1  0.50000000  0.64034444  0.31859309  1.0