# generated using pymatgen
data_Sc8Ni(B8Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44986385
_cell_length_b   8.89576135
_cell_length_c   11.19006492
_cell_angle_alpha   89.88222757
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Ni(B8Ir)3
_chemical_formula_sum   'Sc8 Ni1 B24 Ir3'
_cell_volume   343.41302823
_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  0.31454698  0.41026069  1.0
  Sc  Sc1  1  0.50000000  0.68354559  0.58478230  1.0
  Sc  Sc2  1  0.50000000  0.17953013  0.92022747  1.0
  Sc  Sc3  1  0.50000000  0.82438221  0.08776951  1.0
  Sc  Sc4  1  0.50000000  0.44103782  0.12646636  1.0
  Sc  Sc5  1  0.50000000  0.55542805  0.87575815  1.0
  Sc  Sc6  1  0.50000000  0.05534418  0.62437137  1.0
  Sc  Sc7  1  0.50000000  0.94683066  0.37083178  1.0
  Ni  Ni8  1  0.50000000  0.14223808  0.18136516  1.0
  B  B9  1  0.00000000  0.10374869  0.47050228  1.0
  B  B10  1  0.00000000  0.89790041  0.52676851  1.0
  B  B11  1  0.00000000  0.39459687  0.97287190  1.0
  B  B12  1  0.00000000  0.60270379  0.02874598  1.0
  B  B13  1  0.00000000  0.13159450  0.31665367  1.0
  B  B14  1  0.00000000  0.86862632  0.68033482  1.0
  B  B15  1  0.00000000  0.36819239  0.81950526  1.0
  B  B16  1  0.00000000  0.63128242  0.18196655  1.0
  B  B17  1  0.00000000  0.05320780  0.06550339  1.0
  B  B18  1  0.00000000  0.94700448  0.93680375  1.0
  B  B19  1  0.00000000  0.44619066  0.56390775  1.0
  B  B20  1  0.00000000  0.55401095  0.43600162  1.0
  B  B21  1  0.00000000  0.47847466  0.28676468  1.0
  B  B22  1  0.00000000  0.52003309  0.71386306  1.0
  B  B23  1  0.00000000  0.02038242  0.78705696  1.0
  B  B24  1  0.00000000  0.98204374  0.21149237  1.0
  B  B25  1  0.00000000  0.24961422  0.08060060  1.0
  B  B26  1  0.00000000  0.74836947  0.92289499  1.0
  B  B27  1  0.00000000  0.24758266  0.57712696  1.0
  B  B28  1  0.00000000  0.75380491  0.42092286  1.0
  B  B29  1  0.00000000  0.29398477  0.23698544  1.0
  B  B30  1  0.00000000  0.70443031  0.76253958  1.0
  B  B31  1  0.00000000  0.20453449  0.73688644  1.0
  B  B32  1  0.00000000  0.79681749  0.26230234  1.0
  Ir  Ir33  1  0.50000000  0.85889075  0.81788090  1.0
  Ir  Ir34  1  0.50000000  0.36045367  0.67945572  1.0
  Ir  Ir35  1  0.50000000  0.63864036  0.32182984  1.0