# generated using pymatgen
data_Sc4AlB12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44660439
_cell_length_b   8.92600093
_cell_length_c   11.20838508
_cell_angle_alpha   90.09784238
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4AlB12Ir
_chemical_formula_sum   'Sc8 Al2 B24 Ir2'
_cell_volume   344.81867230
_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  0.50000000  0.31509919  0.41052027  1.0
  Sc  Sc1  1  0.50000000  0.68490081  0.58947973  1.0
  Sc  Sc2  1  0.50000000  0.18096968  0.91366588  1.0
  Sc  Sc3  1  0.50000000  0.81903032  0.08633412  1.0
  Sc  Sc4  1  0.50000000  0.44238417  0.12652876  1.0
  Sc  Sc5  1  0.50000000  0.55761583  0.87347124  1.0
  Sc  Sc6  1  0.50000000  0.05425021  0.62768965  1.0
  Sc  Sc7  1  0.50000000  0.94574979  0.37231035  1.0
  Al  Al8  1  0.50000000  0.14009743  0.18081894  1.0
  Al  Al9  1  0.50000000  0.85990257  0.81918106  1.0
  B  B10  1  0.00000000  0.10095605  0.47232545  1.0
  B  B11  1  0.00000000  0.89904395  0.52767455  1.0
  B  B12  1  0.00000000  0.39803313  0.97154297  1.0
  B  B13  1  0.00000000  0.60196687  0.02845703  1.0
  B  B14  1  0.00000000  0.13064680  0.31942416  1.0
  B  B15  1  0.00000000  0.86935320  0.68057584  1.0
  B  B16  1  0.00000000  0.36966937  0.81772286  1.0
  B  B17  1  0.00000000  0.63033063  0.18227714  1.0
  B  B18  1  0.00000000  0.05130507  0.06311568  1.0
  B  B19  1  0.00000000  0.94869493  0.93688432  1.0
  B  B20  1  0.00000000  0.44731260  0.56468757  1.0
  B  B21  1  0.00000000  0.55268740  0.43531243  1.0
  B  B22  1  0.00000000  0.47872159  0.28751439  1.0
  B  B23  1  0.00000000  0.52127841  0.71248561  1.0
  B  B24  1  0.00000000  0.02203544  0.78860941  1.0
  B  B25  1  0.00000000  0.97796456  0.21139059  1.0
  B  B26  1  0.00000000  0.25107991  0.07678520  1.0
  B  B27  1  0.00000000  0.74892009  0.92321480  1.0
  B  B28  1  0.00000000  0.24601284  0.57866620  1.0
  B  B29  1  0.00000000  0.75398716  0.42133380  1.0
  B  B30  1  0.00000000  0.29702383  0.23764441  1.0
  B  B31  1  0.00000000  0.70297617  0.76235559  1.0
  B  B32  1  0.00000000  0.20439082  0.73680195  1.0
  B  B33  1  0.00000000  0.79560918  0.26319805  1.0
  Ir  Ir34  1  0.50000000  0.35963159  0.67844952  1.0
  Ir  Ir35  1  0.50000000  0.64036841  0.32155048  1.0