# generated using pymatgen
data_Ti17Nb3Si16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70302929
_cell_length_b   6.70302929
_cell_length_c   12.24033056
_cell_angle_alpha   90.05742204
_cell_angle_beta   89.94257796
_cell_angle_gamma   89.97522159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti17Nb3Si16
_chemical_formula_sum   'Ti17 Nb3 Si16'
_cell_volume   549.96481184
_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
  Ti  Ti0  1  0.99502813  0.15053462  0.62054982  1.0
  Ti  Ti1  1  0.35078177  0.49411482  0.87126947  1.0
  Ti  Ti2  1  0.64922148  0.50525125  0.37176560  1.0
  Ti  Ti3  1  0.49411482  0.35078177  0.12873053  1.0
  Ti  Ti4  1  0.50525125  0.64922148  0.62823440  1.0
  Ti  Ti5  1  0.00507176  0.84981855  0.12166360  1.0
  Ti  Ti6  1  0.15053462  0.99502813  0.37945018  1.0
  Ti  Ti7  1  0.84981855  0.00507176  0.87833640  1.0
  Ti  Ti8  1  0.00437708  0.34456326  0.21983291  1.0
  Ti  Ti9  1  0.15770867  0.50524783  0.46924790  1.0
  Ti  Ti10  1  0.84180901  0.49481511  0.96947554  1.0
  Ti  Ti11  1  0.50524783  0.15770867  0.53075210  1.0
  Ti  Ti12  1  0.49481511  0.84180901  0.03052446  1.0
  Ti  Ti13  1  0.99542134  0.65684283  0.71890982  1.0
  Ti  Ti14  1  0.34456326  0.00437708  0.78016709  1.0
  Ti  Ti15  1  0.65684283  0.99542134  0.28109018  1.0
  Ti  Ti16  1  0.83016186  0.83016186  0.50000000  1.0
  Nb  Nb17  1  0.17001882  0.17001882  0.00000000  1.0
  Nb  Nb18  1  0.32870864  0.67063311  0.25059273  1.0
  Nb  Nb19  1  0.67063311  0.32870864  0.74940727  1.0
  Si  Si20  1  0.04638684  0.30134390  0.81106159  1.0
  Si  Si21  1  0.19752854  0.54615593  0.06144852  1.0
  Si  Si22  1  0.80340363  0.45706671  0.56059347  1.0
  Si  Si23  1  0.54615593  0.19752854  0.93855148  1.0
  Si  Si24  1  0.45706671  0.80340363  0.43940653  1.0
  Si  Si25  1  0.95209967  0.70029340  0.31403773  1.0
  Si  Si26  1  0.30134390  0.04638684  0.18893841  1.0
  Si  Si27  1  0.70029340  0.95209967  0.68596227  1.0
  Si  Si28  1  0.29134570  0.36000001  0.67124578  1.0
  Si  Si29  1  0.13999952  0.79130661  0.92125098  1.0
  Si  Si30  1  0.85831940  0.20580994  0.42260490  1.0
  Si  Si31  1  0.79130661  0.13999952  0.07874902  1.0
  Si  Si32  1  0.20580994  0.85831940  0.57739510  1.0
  Si  Si33  1  0.70856391  0.64024536  0.17240571  1.0
  Si  Si34  1  0.36000001  0.29134570  0.32875422  1.0
  Si  Si35  1  0.64024536  0.70856391  0.82759429  1.0