# generated using pymatgen
data_ScNb9B20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22518657
_cell_length_b   7.07397089
_cell_length_c   7.38251335
_cell_angle_alpha   93.38041734
_cell_angle_beta   102.12726323
_cell_angle_gamma   116.13705133
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb9B20
_chemical_formula_sum   'Sc1 Nb9 B20'
_cell_volume   281.06135681
_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  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb2  1  0.49829867  0.79917053  0.40061759  1.0
  Nb  Nb3  1  0.00035856  0.40000749  0.20005809  1.0
  Nb  Nb4  1  0.50170133  0.20082947  0.59938241  1.0
  Nb  Nb5  1  0.99974362  0.79706012  0.39926203  1.0
  Nb  Nb6  1  0.49987558  0.59977046  0.79905041  1.0
  Nb  Nb7  1  0.50012442  0.40022954  0.20094959  1.0
  Nb  Nb8  1  0.00025638  0.20293988  0.60073797  1.0
  Nb  Nb9  1  0.99964144  0.59999251  0.79994191  1.0
  B  B10  1  0.33228014  0.23243222  0.86701199  1.0
  B  B11  1  0.33332799  0.63297470  0.06716205  1.0
  B  B12  1  0.16670340  0.36566537  0.93404588  1.0
  B  B13  1  0.33234848  0.03289607  0.26671438  1.0
  B  B14  1  0.16638791  0.76747204  0.13274587  1.0
  B  B15  1  0.83361209  0.23252796  0.86725413  1.0
  B  B16  1  0.16633475  0.16629208  0.33262694  1.0
  B  B17  1  0.83329660  0.63433463  0.06595412  1.0
  B  B18  1  0.33292387  0.43285566  0.46619571  1.0
  B  B19  1  0.66667201  0.36702530  0.93283795  1.0
  B  B20  1  0.83350671  0.03298896  0.26663240  1.0
  B  B21  1  0.66771986  0.76756778  0.13298801  1.0
  B  B22  1  0.33343174  0.83375458  0.66691431  1.0
  B  B23  1  0.16686314  0.56685273  0.53309520  1.0
  B  B24  1  0.66656826  0.16624542  0.33308569  1.0
  B  B25  1  0.83313686  0.43314727  0.46690480  1.0
  B  B26  1  0.16649329  0.96701104  0.73336760  1.0
  B  B27  1  0.83366525  0.83370792  0.66737306  1.0
  B  B28  1  0.66707613  0.56714434  0.53380429  1.0
  B  B29  1  0.66765152  0.96710393  0.73328562  1.0