# generated using pymatgen
data_TiFe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99296333
_cell_length_b   3.99296333
_cell_length_c   3.99296333
_cell_angle_alpha   59.98995358
_cell_angle_beta   59.98995358
_cell_angle_gamma   59.98995358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe2Si
_chemical_formula_sum   'Ti1 Fe2 Si1'
_cell_volume   45.00616696
_cell_formula_units_Z   1
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  0.74999247  0.74999247  0.74999247  1.0
  Fe  Fe1  1  -0.00000001  -0.00000001  -0.00000001  1.0
  Fe  Fe2  1  0.49999974  0.49999974  0.49999974  1.0
  Si  Si3  1  0.25000479  0.25000479  0.25000479  1.0