# generated using pymatgen
data_Sc8Be(B8Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44201646
_cell_length_b   8.88936612
_cell_length_c   11.18742230
_cell_angle_alpha   89.92910893
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Be(B8Ir)3
_chemical_formula_sum   'Sc8 Be1 B24 Ir3'
_cell_volume   342.30515228
_cell_formula_units_Z   1
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  0.31212320  0.40757915  1.0
  Sc  Sc1  1  0.50000000  0.68214319  0.58322332  1.0
  Sc  Sc2  1  0.50000000  0.17966618  0.92214630  1.0
  Sc  Sc3  1  0.50000000  0.82682854  0.08852589  1.0
  Sc  Sc4  1  0.50000000  0.43937501  0.12779495  1.0
  Sc  Sc5  1  0.50000000  0.55613109  0.87532997  1.0
  Sc  Sc6  1  0.50000000  0.05572242  0.62579891  1.0
  Sc  Sc7  1  0.50000000  0.94873880  0.37041690  1.0
  Be  Be8  1  0.50000000  0.13734320  0.17929153  1.0
  B  B9  1  0.00000000  0.10346075  0.47085415  1.0
  B  B10  1  0.00000000  0.89908101  0.52674997  1.0
  B  B11  1  0.00000000  0.39564061  0.97323861  1.0
  B  B12  1  0.00000000  0.60153730  0.02865270  1.0
  B  B13  1  0.00000000  0.13183431  0.31711374  1.0
  B  B14  1  0.00000000  0.86822791  0.68000197  1.0
  B  B15  1  0.00000000  0.36747495  0.82011211  1.0
  B  B16  1  0.00000000  0.63074974  0.18246186  1.0
  B  B17  1  0.00000000  0.05361385  0.06563995  1.0
  B  B18  1  0.00000000  0.94737000  0.93762627  1.0
  B  B19  1  0.00000000  0.44592023  0.56333558  1.0
  B  B20  1  0.00000000  0.55336626  0.43494184  1.0
  B  B21  1  0.00000000  0.47790754  0.28679235  1.0
  B  B22  1  0.00000000  0.51991225  0.71386591  1.0
  B  B23  1  0.00000000  0.01999617  0.78793712  1.0
  B  B24  1  0.00000000  0.98212096  0.21145750  1.0
  B  B25  1  0.00000000  0.25015720  0.08024428  1.0
  B  B26  1  0.00000000  0.74920133  0.92392673  1.0
  B  B27  1  0.00000000  0.24809925  0.57663006  1.0
  B  B28  1  0.00000000  0.75512644  0.42015215  1.0
  B  B29  1  0.00000000  0.29517875  0.23720098  1.0
  B  B30  1  0.00000000  0.70433595  0.76190755  1.0
  B  B31  1  0.00000000  0.20440370  0.73740511  1.0
  B  B32  1  0.00000000  0.79774400  0.26203905  1.0
  Ir  Ir33  1  0.50000000  0.85764199  0.81756374  1.0
  Ir  Ir34  1  0.50000000  0.36070143  0.68027252  1.0
  Ir  Ir35  1  0.50000000  0.64112650  0.32176829  1.0