# generated using pymatgen
data_Ti2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00363959
_cell_length_b   6.00363959
_cell_length_c   6.00363959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeSi
_chemical_formula_sum   'Ti8 Fe4 Si4'
_cell_volume   216.39331421
_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  0.00000000  0.00000000  0.00000000  1
  Ti  Ti1  1  0.75000000  0.25000000  0.25000000  1
  Ti  Ti2  1  0.00000000  0.50000000  0.50000000  1
  Ti  Ti3  1  0.75000000  0.75000000  0.75000000  1
  Ti  Ti4  1  0.50000000  0.00000000  0.50000000  1
  Ti  Ti5  1  0.25000000  0.25000000  0.75000000  1
  Ti  Ti6  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti7  1  0.25000000  0.75000000  0.25000000  1
  Fe  Fe8  1  0.25000000  0.75000000  0.75000000  1
  Fe  Fe9  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe10  1  0.75000000  0.75000000  0.25000000  1
  Fe  Fe11  1  0.75000000  0.25000000  0.75000000  1
  Si  Si12  1  0.00000000  0.00000000  0.50000000  1
  Si  Si13  1  0.00000000  0.50000000  0.00000000  1
  Si  Si14  1  0.50000000  0.00000000  0.00000000  1
  Si  Si15  1  0.50000000  0.50000000  0.50000000  1
