# generated using pymatgen
data_Ti4Si7Ni4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.57354309
_cell_length_b   12.57354309
_cell_length_c   4.95091828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Si7Ni4
_chemical_formula_sum   'Ti16 Si28 Ni16'
_cell_volume   782.71040443
_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  0.50000000  0.31005300  0.00000000  1
  Ti  Ti1  1  0.36558000  0.63442000  0.50000000  1
  Ti  Ti2  1  0.81005300  0.00000000  0.50000000  1
  Ti  Ti3  1  0.50000000  0.68994700  0.00000000  1
  Ti  Ti4  1  0.13442000  0.86558000  0.00000000  1
  Ti  Ti5  1  0.13442000  0.13442000  0.00000000  1
  Ti  Ti6  1  0.36558000  0.36558000  0.50000000  1
  Ti  Ti7  1  0.18994700  0.00000000  0.50000000  1
  Ti  Ti8  1  0.00000000  0.81005300  0.50000000  1
  Ti  Ti9  1  0.86558000  0.13442000  0.00000000  1
  Ti  Ti10  1  0.31005300  0.50000000  0.00000000  1
  Ti  Ti11  1  0.00000000  0.18994700  0.50000000  1
  Ti  Ti12  1  0.63442000  0.36558000  0.50000000  1
  Ti  Ti13  1  0.63442000  0.63442000  0.50000000  1
  Ti  Ti14  1  0.86558000  0.86558000  0.00000000  1
  Ti  Ti15  1  0.68994700  0.50000000  0.00000000  1
  Si  Si16  1  0.00000000  0.00000000  0.24895700  1
  Si  Si17  1  0.50000000  0.78797900  0.50000000  1
  Si  Si18  1  0.29572600  0.70427400  0.00000000  1
  Si  Si19  1  0.29572600  0.29572600  0.00000000  1
  Si  Si20  1  0.20427400  0.20427400  0.50000000  1
  Si  Si21  1  0.20427400  0.79572600  0.50000000  1
  Si  Si22  1  0.71202100  0.00000000  0.00000000  1
  Si  Si23  1  0.28797900  0.00000000  0.00000000  1
  Si  Si24  1  0.00000000  0.00000000  0.75104300  1
  Si  Si25  1  0.50000000  0.09329000  0.00000000  1
  Si  Si26  1  0.40671000  0.00000000  0.50000000  1
  Si  Si27  1  0.59329000  0.00000000  0.50000000  1
  Si  Si28  1  0.50000000  0.90671000  0.00000000  1
  Si  Si29  1  0.50000000  0.21202100  0.50000000  1
  Si  Si30  1  0.50000000  0.50000000  0.74895700  1
  Si  Si31  1  0.00000000  0.28797900  0.00000000  1
  Si  Si32  1  0.79572600  0.20427400  0.50000000  1
  Si  Si33  1  0.79572600  0.79572600  0.50000000  1
  Si  Si34  1  0.70427400  0.70427400  0.00000000  1
  Si  Si35  1  0.70427400  0.29572600  0.00000000  1
  Si  Si36  1  0.21202100  0.50000000  0.50000000  1
  Si  Si37  1  0.78797900  0.50000000  0.50000000  1
  Si  Si38  1  0.50000000  0.50000000  0.25104300  1
  Si  Si39  1  0.00000000  0.59329000  0.50000000  1
  Si  Si40  1  0.90671000  0.50000000  0.00000000  1
  Si  Si41  1  0.09329000  0.50000000  0.00000000  1
  Si  Si42  1  0.00000000  0.40671000  0.50000000  1
  Si  Si43  1  0.00000000  0.71202100  0.00000000  1
  Ni  Ni44  1  0.35124500  0.85124500  0.75000000  1
  Ni  Ni45  1  0.64875500  0.14875500  0.75000000  1
  Ni  Ni46  1  0.64875500  0.85124500  0.25000000  1
  Ni  Ni47  1  0.64875500  0.85124500  0.75000000  1
  Ni  Ni48  1  0.64875500  0.14875500  0.25000000  1
  Ni  Ni49  1  0.35124500  0.85124500  0.25000000  1
  Ni  Ni50  1  0.35124500  0.14875500  0.75000000  1
  Ni  Ni51  1  0.35124500  0.14875500  0.25000000  1
  Ni  Ni52  1  0.85124500  0.35124500  0.25000000  1
  Ni  Ni53  1  0.14875500  0.64875500  0.25000000  1
  Ni  Ni54  1  0.14875500  0.35124500  0.75000000  1
  Ni  Ni55  1  0.14875500  0.35124500  0.25000000  1
  Ni  Ni56  1  0.14875500  0.64875500  0.75000000  1
  Ni  Ni57  1  0.85124500  0.35124500  0.75000000  1
  Ni  Ni58  1  0.85124500  0.64875500  0.25000000  1
  Ni  Ni59  1  0.85124500  0.64875500  0.75000000  1
