# generated using pymatgen
data_Sc4CrB12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43340332
_cell_length_b   8.88316640
_cell_length_c   11.19468643
_cell_angle_alpha   89.90318611
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4CrB12Ir
_chemical_formula_sum   'Sc8 Cr2 B24 Ir2'
_cell_volume   341.43177330
_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  0.00000000  0.81118436  0.09017382  1.0
  Sc  Sc1  1  0.00000000  0.18881564  0.90982618  1.0
  Sc  Sc2  1  0.00000000  0.32517941  0.41843571  1.0
  Sc  Sc3  1  0.00000000  0.67482059  0.58156429  1.0
  Sc  Sc4  1  0.00000000  0.44719079  0.12806377  1.0
  Sc  Sc5  1  0.00000000  0.55280921  0.87193623  1.0
  Sc  Sc6  1  0.00000000  0.94051359  0.37438318  1.0
  Sc  Sc7  1  0.00000000  0.05948641  0.62561682  1.0
  Cr  Cr8  1  0.00000000  0.63963212  0.31902104  1.0
  Cr  Cr9  1  0.00000000  0.36036788  0.68097896  1.0
  B  B10  1  0.50000000  0.05347814  0.06428250  1.0
  B  B11  1  0.50000000  0.94652186  0.93571750  1.0
  B  B12  1  0.50000000  0.55276508  0.43421877  1.0
  B  B13  1  0.50000000  0.44723492  0.56578123  1.0
  B  B14  1  0.50000000  0.25296696  0.07784321  1.0
  B  B15  1  0.50000000  0.74703304  0.92215679  1.0
  B  B16  1  0.50000000  0.75007486  0.42075273  1.0
  B  B17  1  0.50000000  0.24992514  0.57924727  1.0
  B  B18  1  0.50000000  0.29455811  0.23680088  1.0
  B  B19  1  0.50000000  0.70544189  0.76319912  1.0
  B  B20  1  0.50000000  0.79381160  0.26416956  1.0
  B  B21  1  0.50000000  0.20618840  0.73583044  1.0
  B  B22  1  0.50000000  0.13033971  0.31844596  1.0
  B  B23  1  0.50000000  0.86966029  0.68155404  1.0
  B  B24  1  0.50000000  0.63015448  0.18332448  1.0
  B  B25  1  0.50000000  0.36984552  0.81667552  1.0
  B  B26  1  0.50000000  0.47967313  0.28788280  1.0
  B  B27  1  0.50000000  0.52032687  0.71211720  1.0
  B  B28  1  0.50000000  0.97843926  0.21309471  1.0
  B  B29  1  0.50000000  0.02156074  0.78690529  1.0
  B  B30  1  0.50000000  0.10254178  0.47176144  1.0
  B  B31  1  0.50000000  0.89745822  0.52823856  1.0
  B  B32  1  0.50000000  0.60248269  0.02791686  1.0
  B  B33  1  0.50000000  0.39751731  0.97208314  1.0
  Ir  Ir34  1  0.00000000  0.13849695  0.17883251  1.0
  Ir  Ir35  1  0.00000000  0.86150305  0.82116749  1.0