# generated using pymatgen
data_TiFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94084462
_cell_length_b   10.74694059
_cell_length_c   6.25932115
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeSi
_chemical_formula_sum   'Ti12 Fe12 Si12'
_cell_volume   466.90057094
_cell_formula_units_Z   12
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  0.58392400  0.25000000  0.49664000  1
  Ti  Ti1  1  0.73510100  0.25000000  0.22644300  1
  Ti  Ti2  1  0.23510100  0.25000000  0.27355700  1
  Ti  Ti3  1  0.70062100  0.75000000  0.19584700  1
  Ti  Ti4  1  0.08392400  0.25000000  0.00336000  1
  Ti  Ti5  1  0.20062100  0.75000000  0.30415300  1
  Ti  Ti6  1  0.08392400  0.75000000  0.99664000  1
  Ti  Ti7  1  0.23510100  0.75000000  0.72644300  1
  Ti  Ti8  1  0.73510100  0.75000000  0.77355700  1
  Ti  Ti9  1  0.20062100  0.25000000  0.69584700  1
  Ti  Ti10  1  0.58392400  0.75000000  0.50336000  1
  Ti  Ti11  1  0.70062100  0.25000000  0.80415300  1
  Fe  Fe12  1  0.74868000  0.50000000  0.00000000  1
  Fe  Fe13  1  0.74868000  0.00000000  0.00000000  1
  Fe  Fe14  1  0.87890700  0.53367700  0.37665000  1
  Fe  Fe15  1  0.37890700  0.53367700  0.12335000  1
  Fe  Fe16  1  0.87890700  0.96632300  0.37665000  1
  Fe  Fe17  1  0.37890700  0.96632300  0.12335000  1
  Fe  Fe18  1  0.24868000  0.00000000  0.50000000  1
  Fe  Fe19  1  0.24868000  0.50000000  0.50000000  1
  Fe  Fe20  1  0.37890700  0.03367700  0.87665000  1
  Fe  Fe21  1  0.87890700  0.03367700  0.62335000  1
  Fe  Fe22  1  0.37890700  0.46632300  0.87665000  1
  Fe  Fe23  1  0.87890700  0.46632300  0.62335000  1
  Si  Si24  1  0.49291600  0.25000000  0.03021300  1
  Si  Si25  1  0.00492200  0.99158000  0.16746900  1
  Si  Si26  1  0.00492200  0.50842000  0.16746900  1
  Si  Si27  1  0.50492200  0.99158000  0.33253100  1
  Si  Si28  1  0.99291600  0.25000000  0.46978700  1
  Si  Si29  1  0.50492200  0.50842000  0.33253100  1
  Si  Si30  1  0.99291600  0.75000000  0.53021300  1
  Si  Si31  1  0.50492200  0.49158000  0.66746900  1
  Si  Si32  1  0.50492200  0.00842000  0.66746900  1
  Si  Si33  1  0.00492200  0.49158000  0.83253100  1
  Si  Si34  1  0.49291600  0.75000000  0.96978700  1
  Si  Si35  1  0.00492200  0.00842000  0.83253100  1
