# generated using pymatgen
data_Ti5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68896492
_cell_length_b   6.68896492
_cell_length_c   12.15760457
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Si4
_chemical_formula_sum   'Ti20 Si16'
_cell_volume   543.95860375
_cell_formula_units_Z   4
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  0.99586227  0.14908996  0.62206880  1.0
  Ti  Ti1  1  0.35091004  0.49586227  0.87206880  1.0
  Ti  Ti2  1  0.64908996  0.50413773  0.37206880  1.0
  Ti  Ti3  1  0.49586227  0.35091004  0.12793120  1.0
  Ti  Ti4  1  0.50413773  0.64908996  0.62793120  1.0
  Ti  Ti5  1  0.00413773  0.85091004  0.12206880  1.0
  Ti  Ti6  1  0.14908996  0.99586227  0.37793120  1.0
  Ti  Ti7  1  0.85091004  0.00413773  0.87793120  1.0
  Ti  Ti8  1  0.00256245  0.34535309  0.21786020  1.0
  Ti  Ti9  1  0.15464691  0.50256245  0.46786020  1.0
  Ti  Ti10  1  0.84535309  0.49743755  0.96786020  1.0
  Ti  Ti11  1  0.50256245  0.15464691  0.53213980  1.0
  Ti  Ti12  1  0.49743755  0.84535309  0.03213980  1.0
  Ti  Ti13  1  0.99743755  0.65464691  0.71786020  1.0
  Ti  Ti14  1  0.34535309  0.00256245  0.78213980  1.0
  Ti  Ti15  1  0.65464691  0.99743755  0.28213980  1.0
  Ti  Ti16  1  0.17112760  0.17112760  -0.00000000  1.0
  Ti  Ti17  1  0.32887240  0.67112760  0.25000000  1.0
  Ti  Ti18  1  0.67112760  0.32887240  0.75000000  1.0
  Ti  Ti19  1  0.82887240  0.82887240  0.50000000  1.0
  Si  Si20  1  0.04535421  0.30087658  0.81315346  1.0
  Si  Si21  1  0.19912342  0.54535421  0.06315346  1.0
  Si  Si22  1  0.80087658  0.45464579  0.56315346  1.0
  Si  Si23  1  0.54535421  0.19912342  0.93684654  1.0
  Si  Si24  1  0.45464579  0.80087658  0.43684654  1.0
  Si  Si25  1  0.95464579  0.69912342  0.31315346  1.0
  Si  Si26  1  0.30087658  0.04535421  0.18684654  1.0
  Si  Si27  1  0.69912342  0.95464579  0.68684654  1.0
  Si  Si28  1  0.29423250  0.35763964  0.67280954  1.0
  Si  Si29  1  0.14236036  0.79423250  0.92280954  1.0
  Si  Si30  1  0.85763964  0.20576750  0.42280954  1.0
  Si  Si31  1  0.79423250  0.14236036  0.07719046  1.0
  Si  Si32  1  0.20576750  0.85763964  0.57719046  1.0
  Si  Si33  1  0.70576750  0.64236036  0.17280954  1.0
  Si  Si34  1  0.35763964  0.29423250  0.32719046  1.0
  Si  Si35  1  0.64236036  0.70576750  0.82719046  1.0