# generated using pymatgen
data_ScTi6Nb3Si8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71647577
_cell_length_b   6.71891085
_cell_length_c   12.30043415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.81209222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi6Nb3Si8
_chemical_formula_sum   'Sc2 Ti12 Nb6 Si16'
_cell_volume   555.08365093
_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  0.65963840  0.99975758  0.97014014  1.0
  Sc  Sc1  1  0.34036160  0.00024242  0.47014014  1.0
  Ti  Ti2  1  0.32664681  0.33314667  0.99976932  1.0
  Ti  Ti3  1  0.16941219  0.82882443  0.24942913  1.0
  Ti  Ti4  1  0.83058781  0.17117557  0.74942913  1.0
  Ti  Ti5  1  0.67335319  0.66685333  0.49976932  1.0
  Ti  Ti6  1  0.00310638  0.15526983  0.12978553  1.0
  Ti  Ti7  1  0.34967829  0.50402443  0.37718070  1.0
  Ti  Ti8  1  0.65032171  0.49597557  0.87718070  1.0
  Ti  Ti9  1  0.50455445  0.34813071  0.62237271  1.0
  Ti  Ti10  1  0.49544555  0.65186929  0.12237271  1.0
  Ti  Ti11  1  0.99689362  0.84473017  0.62978553  1.0
  Ti  Ti12  1  0.14946921  0.00429376  0.87145300  1.0
  Ti  Ti13  1  0.85053079  0.99570624  0.37145300  1.0
  Nb  Nb14  1  0.00485359  0.65522384  0.03009712  1.0
  Nb  Nb15  1  0.84383821  0.50374059  0.28033384  1.0
  Nb  Nb16  1  0.15616179  0.49625941  0.78033384  1.0
  Nb  Nb17  1  0.50285024  0.84260095  0.71802810  1.0
  Nb  Nb18  1  0.49714976  0.15739905  0.21802810  1.0
  Nb  Nb19  1  0.99514641  0.34477616  0.53009712  1.0
  Si  Si20  1  0.29376065  0.95478029  0.06245124  1.0
  Si  Si21  1  0.54672271  0.79743623  0.31350077  1.0
  Si  Si22  1  0.45327729  0.20256377  0.81350077  1.0
  Si  Si23  1  0.79637472  0.54470023  0.68664910  1.0
  Si  Si24  1  0.20362528  0.45529977  0.18664910  1.0
  Si  Si25  1  0.70623935  0.04521971  0.56245124  1.0
  Si  Si26  1  0.95332627  0.29757579  0.93743724  1.0
  Si  Si27  1  0.04667373  0.70242421  0.43743724  1.0
  Si  Si28  1  0.70839920  0.36563996  0.07693854  1.0
  Si  Si29  1  0.13520097  0.21088680  0.32520718  1.0
  Si  Si30  1  0.86479903  0.78911320  0.82520718  1.0
  Si  Si31  1  0.20480014  0.13907151  0.67589994  1.0
  Si  Si32  1  0.79519986  0.86092849  0.17589994  1.0
  Si  Si33  1  0.29160080  0.63436004  0.57693854  1.0
  Si  Si34  1  0.36128121  0.70748335  0.92332541  1.0
  Si  Si35  1  0.63871879  0.29251665  0.42332541  1.0