# generated using pymatgen
data_Ti3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12928781
_cell_length_b   10.12952998
_cell_length_c   5.06783633
_cell_angle_alpha   89.99760045
_cell_angle_beta   89.99765407
_cell_angle_gamma   90.00309591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Si
_chemical_formula_sum   'Ti24 Si8'
_cell_volume   519.98496314
_cell_formula_units_Z   8
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  0.43230032  0.96743793  0.24602170  1.0
  Ti  Ti1  1  0.06768664  0.53255118  0.24604742  1.0
  Ti  Ti2  1  0.03259025  0.93238363  0.74607177  1.0
  Ti  Ti3  1  0.46740297  0.56762023  0.74608443  1.0
  Ti  Ti4  1  0.56766072  0.03261293  0.75396913  1.0
  Ti  Ti5  1  0.93235361  0.46739972  0.75394991  1.0
  Ti  Ti6  1  0.96745087  0.06765928  0.25393593  1.0
  Ti  Ti7  1  0.53255859  0.43233551  0.25392586  1.0
  Ti  Ti8  1  0.27842982  0.39155648  0.96805213  1.0
  Ti  Ti9  1  0.22154214  0.10844921  0.96804703  1.0
  Ti  Ti10  1  0.60842069  0.77846306  0.46811381  1.0
  Ti  Ti11  1  0.89160176  0.72154017  0.46810548  1.0
  Ti  Ti12  1  0.72156631  0.60841231  0.03193585  1.0
  Ti  Ti13  1  0.77846155  0.89158292  0.03193687  1.0
  Ti  Ti14  1  0.39154914  0.22154961  0.53188374  1.0
  Ti  Ti15  1  0.10842862  0.27844790  0.53189718  1.0
  Ti  Ti16  1  0.33155671  0.85748093  0.71882567  1.0
  Ti  Ti17  1  0.16840819  0.64256876  0.71863471  1.0
  Ti  Ti18  1  0.14264270  0.83164835  0.21847447  1.0
  Ti  Ti19  1  0.35733478  0.66837678  0.21847438  1.0
  Ti  Ti20  1  0.66842039  0.14254986  0.28117492  1.0
  Ti  Ti21  1  0.83161573  0.35739955  0.28138236  1.0
  Ti  Ti22  1  0.85738628  0.16837947  0.78152438  1.0
  Ti  Ti23  1  0.64263618  0.33159494  0.78152091  1.0
  Si  Si24  1  0.29212513  0.45523902  0.46177986  1.0
  Si  Si25  1  0.20787797  0.04476448  0.46179170  1.0
  Si  Si26  1  0.54474048  0.79212619  0.96183843  1.0
  Si  Si27  1  0.95527373  0.70786473  0.96182531  1.0
  Si  Si28  1  0.70786708  0.54474897  0.53821831  1.0
  Si  Si29  1  0.79213112  0.95524873  0.53820551  1.0
  Si  Si30  1  0.45523137  0.20787899  0.03816408  1.0
  Si  Si31  1  0.04475313  0.29213120  0.03818174  1.0