# generated using pymatgen
data_TiSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30909695
_cell_length_b   5.26236498
_cell_length_c   5.05176862
_cell_angle_alpha   61.92034360
_cell_angle_beta   60.98914970
_cell_angle_gamma   57.09050670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2
_chemical_formula_sum   'Ti2 Si4'
_cell_volume   99.41034831
_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  0.87500000  0.87500000  0.87500000  1.0
  Ti  Ti1  1  0.12500000  0.12500000  0.12500000  1.0
  Si  Si2  1  0.20856500  0.20856500  0.54143500  1.0
  Si  Si3  1  0.54143500  0.54143500  0.20856500  1.0
  Si  Si4  1  0.79143500  0.79143500  0.45856500  1.0
  Si  Si5  1  0.45856500  0.45856500  0.79143500  1.0