# generated using pymatgen
data_Sc4B12IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47866466
_cell_length_b   8.88367290
_cell_length_c   11.18496870
_cell_angle_alpha   89.96221373
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4B12IrRu
_chemical_formula_sum   'Sc8 B24 Ir2 Ru2'
_cell_volume   345.65257974
_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  0.81343691  0.08836606  1.0
  Sc  Sc1  1  0.00000000  0.18656309  0.91163394  1.0
  Sc  Sc2  1  0.00000000  0.32012187  0.41636026  1.0
  Sc  Sc3  1  0.00000000  0.67987813  0.58363974  1.0
  Sc  Sc4  1  0.00000000  0.44610796  0.12622054  1.0
  Sc  Sc5  1  0.00000000  0.55389204  0.87377946  1.0
  Sc  Sc6  1  0.00000000  0.94201578  0.37503849  1.0
  Sc  Sc7  1  0.00000000  0.05798422  0.62496151  1.0
  B  B8  1  0.50000000  0.05380440  0.06399820  1.0
  B  B9  1  0.50000000  0.94619560  0.93600180  1.0
  B  B10  1  0.50000000  0.55365773  0.43520252  1.0
  B  B11  1  0.50000000  0.44634227  0.56479748  1.0
  B  B12  1  0.50000000  0.25274269  0.07796338  1.0
  B  B13  1  0.50000000  0.74725731  0.92203662  1.0
  B  B14  1  0.50000000  0.75115963  0.42132472  1.0
  B  B15  1  0.50000000  0.24884037  0.57867528  1.0
  B  B16  1  0.50000000  0.29456473  0.23647904  1.0
  B  B17  1  0.50000000  0.70543527  0.76352096  1.0
  B  B18  1  0.50000000  0.79394972  0.26391003  1.0
  B  B19  1  0.50000000  0.20605028  0.73608997  1.0
  B  B20  1  0.50000000  0.13027678  0.31855444  1.0
  B  B21  1  0.50000000  0.86972322  0.68144556  1.0
  B  B22  1  0.50000000  0.63014722  0.18260264  1.0
  B  B23  1  0.50000000  0.36985278  0.81739736  1.0
  B  B24  1  0.50000000  0.47986594  0.28712611  1.0
  B  B25  1  0.50000000  0.52013406  0.71287389  1.0
  B  B26  1  0.50000000  0.97902546  0.21350704  1.0
  B  B27  1  0.50000000  0.02097454  0.78649296  1.0
  B  B28  1  0.50000000  0.10380037  0.47156620  1.0
  B  B29  1  0.50000000  0.89619963  0.52843380  1.0
  B  B30  1  0.50000000  0.60336834  0.02827538  1.0
  B  B31  1  0.50000000  0.39663166  0.97172462  1.0
  Ir  Ir32  1  0.00000000  0.13874087  0.17915802  1.0
  Ir  Ir33  1  0.00000000  0.86125913  0.82084198  1.0
  Ru  Ru34  1  0.00000000  0.63902157  0.32012701  1.0
  Ru  Ru35  1  0.00000000  0.36097843  0.67987299  1.0