# generated using pymatgen
data_TiSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53021005
_cell_length_b   3.56517397
_cell_length_c   6.98594855
_cell_angle_alpha   90.00000000
_cell_angle_beta   104.63525912
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2
_chemical_formula_sum   'Ti2 Si4'
_cell_volume   85.07105327
_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
  Ti  Ti0  1  0.89688193  0.75000000  0.79376385  1.0
  Ti  Ti1  1  0.10311807  0.25000000  0.20623615  1.0
  Si  Si2  1  0.55825096  0.75000000  0.11650292  1.0
  Si  Si3  1  0.44174904  0.25000000  0.88349708  1.0
  Si  Si4  1  0.24968419  0.75000000  0.49937037  1.0
  Si  Si5  1  0.75031581  0.25000000  0.50062963  1.0