# generated using pymatgen
data_TiSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63174164
_cell_length_b   4.99348361
_cell_length_c   6.51223075
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi
_chemical_formula_sum   'Ti4 Si4'
_cell_volume   118.09958048
_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  0.25000000  0.37178419  0.67568383  1.0
  Ti  Ti1  1  0.75000000  0.62821581  0.32431617  1.0
  Ti  Ti2  1  0.75000000  0.87178419  0.82431617  1.0
  Ti  Ti3  1  0.25000000  0.12821581  0.17568383  1.0
  Si  Si4  1  0.25000000  0.85539789  0.54392999  1.0
  Si  Si5  1  0.75000000  0.14460211  0.45607001  1.0
  Si  Si6  1  0.75000000  0.35539789  0.95607001  1.0
  Si  Si7  1  0.25000000  0.64460211  0.04392999  1.0