# generated using pymatgen
data_YScB6Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54912155
_cell_length_b   9.00862890
_cell_length_c   11.37266291
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScB6Ir
_chemical_formula_sum   'Y4 Sc4 B24 Ir4'
_cell_volume   363.61495498
_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
  Y  Y0  1  0.50000000  0.31965611  0.41413278  1.0
  Y  Y1  1  0.50000000  0.68034389  0.58586722  1.0
  Y  Y2  1  0.50000000  0.18034389  0.91413278  1.0
  Y  Y3  1  0.50000000  0.81965611  0.08586722  1.0
  Sc  Sc4  1  0.50000000  0.44508724  0.12406128  1.0
  Sc  Sc5  1  0.50000000  0.55491276  0.87593872  1.0
  Sc  Sc6  1  0.50000000  0.05491276  0.62406128  1.0
  Sc  Sc7  1  0.50000000  0.94508724  0.37593872  1.0
  B  B8  1  0.00000000  0.10089175  0.47285339  1.0
  B  B9  1  0.00000000  0.89910825  0.52714661  1.0
  B  B10  1  0.00000000  0.39910825  0.97285339  1.0
  B  B11  1  0.00000000  0.60089175  0.02714661  1.0
  B  B12  1  0.00000000  0.12980703  0.31829807  1.0
  B  B13  1  0.00000000  0.87019297  0.68170193  1.0
  B  B14  1  0.00000000  0.37019297  0.81829807  1.0
  B  B15  1  0.00000000  0.62980703  0.18170193  1.0
  B  B16  1  0.00000000  0.05518924  0.06613532  1.0
  B  B17  1  0.00000000  0.94481076  0.93386468  1.0
  B  B18  1  0.00000000  0.44481076  0.56613532  1.0
  B  B19  1  0.00000000  0.55518924  0.43386468  1.0
  B  B20  1  0.00000000  0.48194287  0.28482132  1.0
  B  B21  1  0.00000000  0.51805713  0.71517868  1.0
  B  B22  1  0.00000000  0.01805713  0.78482132  1.0
  B  B23  1  0.00000000  0.98194287  0.21517868  1.0
  B  B24  1  0.00000000  0.25391451  0.08063318  1.0
  B  B25  1  0.00000000  0.74608549  0.91936682  1.0
  B  B26  1  0.00000000  0.24608549  0.58063318  1.0
  B  B27  1  0.00000000  0.75391451  0.41936682  1.0
  B  B28  1  0.00000000  0.29537292  0.23537498  1.0
  B  B29  1  0.00000000  0.70462708  0.76462502  1.0
  B  B30  1  0.00000000  0.20462708  0.73537498  1.0
  B  B31  1  0.00000000  0.79537292  0.26462502  1.0
  Ir  Ir32  1  0.50000000  0.14093479  0.18155762  1.0
  Ir  Ir33  1  0.50000000  0.85906521  0.81844238  1.0
  Ir  Ir34  1  0.50000000  0.35906521  0.68155762  1.0
  Ir  Ir35  1  0.50000000  0.64093479  0.31844238  1.0