# generated using pymatgen
data_Ti6Si7Ni16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.17203008
_cell_length_b   11.17203008
_cell_length_c   11.17203008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6Si7Ni16
_chemical_formula_sum   'Ti24 Si28 Ni64'
_cell_volume   1394.42862366
_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  0.29819800  0.50000000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.20180200  1
  Ti  Ti2  1  0.00000000  0.00000000  0.79819800  1
  Ti  Ti3  1  0.70180200  0.00000000  0.50000000  1
  Ti  Ti4  1  0.29819800  0.00000000  0.50000000  1
  Ti  Ti5  1  0.00000000  0.70180200  0.50000000  1
  Ti  Ti6  1  0.00000000  0.79819800  0.00000000  1
  Ti  Ti7  1  0.00000000  0.50000000  0.70180200  1
  Ti  Ti8  1  0.00000000  0.50000000  0.29819800  1
  Ti  Ti9  1  0.70180200  0.50000000  0.00000000  1
  Ti  Ti10  1  0.29819800  0.50000000  0.00000000  1
  Ti  Ti11  1  0.00000000  0.20180200  0.00000000  1
  Ti  Ti12  1  0.50000000  0.29819800  0.00000000  1
  Ti  Ti13  1  0.50000000  0.00000000  0.70180200  1
  Ti  Ti14  1  0.50000000  0.00000000  0.29819800  1
  Ti  Ti15  1  0.20180200  0.00000000  0.00000000  1
  Ti  Ti16  1  0.79819800  0.00000000  0.00000000  1
  Ti  Ti17  1  0.50000000  0.70180200  0.00000000  1
  Ti  Ti18  1  0.50000000  0.79819800  0.50000000  1
  Ti  Ti19  1  0.50000000  0.50000000  0.20180200  1
  Ti  Ti20  1  0.50000000  0.50000000  0.79819800  1
  Ti  Ti21  1  0.20180200  0.50000000  0.50000000  1
  Ti  Ti22  1  0.79819800  0.50000000  0.50000000  1
  Ti  Ti23  1  0.50000000  0.20180200  0.50000000  1
  Si  Si24  1  0.00000000  0.00000000  0.50000000  1
  Si  Si25  1  0.25000000  0.00000000  0.25000000  1
  Si  Si26  1  0.00000000  0.25000000  0.25000000  1
  Si  Si27  1  0.00000000  0.75000000  0.25000000  1
  Si  Si28  1  0.75000000  0.00000000  0.25000000  1
  Si  Si29  1  0.75000000  0.25000000  0.50000000  1
  Si  Si30  1  0.25000000  0.75000000  0.00000000  1
  Si  Si31  1  0.00000000  0.50000000  0.00000000  1
  Si  Si32  1  0.25000000  0.50000000  0.75000000  1
  Si  Si33  1  0.00000000  0.75000000  0.75000000  1
  Si  Si34  1  0.00000000  0.25000000  0.75000000  1
  Si  Si35  1  0.75000000  0.50000000  0.75000000  1
  Si  Si36  1  0.75000000  0.75000000  0.00000000  1
  Si  Si37  1  0.25000000  0.25000000  0.50000000  1
  Si  Si38  1  0.50000000  0.00000000  0.00000000  1
  Si  Si39  1  0.75000000  0.00000000  0.75000000  1
  Si  Si40  1  0.50000000  0.25000000  0.75000000  1
  Si  Si41  1  0.50000000  0.75000000  0.75000000  1
  Si  Si42  1  0.25000000  0.00000000  0.75000000  1
  Si  Si43  1  0.25000000  0.25000000  0.00000000  1
  Si  Si44  1  0.75000000  0.75000000  0.50000000  1
  Si  Si45  1  0.50000000  0.50000000  0.50000000  1
  Si  Si46  1  0.75000000  0.50000000  0.25000000  1
  Si  Si47  1  0.50000000  0.75000000  0.25000000  1
  Si  Si48  1  0.50000000  0.25000000  0.25000000  1
  Si  Si49  1  0.25000000  0.50000000  0.25000000  1
  Si  Si50  1  0.25000000  0.75000000  0.50000000  1
  Si  Si51  1  0.75000000  0.25000000  0.00000000  1
  Ni  Ni52  1  0.66550800  0.33449200  0.83449200  1
  Ni  Ni53  1  0.33449200  0.83449200  0.33449200  1
  Ni  Ni54  1  0.11776900  0.88223100  0.38223100  1
  Ni  Ni55  1  0.88223100  0.11776900  0.38223100  1
  Ni  Ni56  1  0.88223100  0.88223100  0.61776900  1
  Ni  Ni57  1  0.11776900  0.88223100  0.61776900  1
  Ni  Ni58  1  0.11776900  0.11776900  0.38223100  1
  Ni  Ni59  1  0.88223100  0.11776900  0.61776900  1
  Ni  Ni60  1  0.11776900  0.11776900  0.61776900  1
  Ni  Ni61  1  0.83449200  0.33449200  0.66550800  1
  Ni  Ni62  1  0.83449200  0.16550800  0.83449200  1
  Ni  Ni63  1  0.16550800  0.66550800  0.33449200  1
  Ni  Ni64  1  0.16550800  0.83449200  0.16550800  1
  Ni  Ni65  1  0.33449200  0.66550800  0.16550800  1
  Ni  Ni66  1  0.66550800  0.16550800  0.66550800  1
  Ni  Ni67  1  0.88223100  0.88223100  0.38223100  1
  Ni  Ni68  1  0.66550800  0.83449200  0.33449200  1
  Ni  Ni69  1  0.33449200  0.33449200  0.83449200  1
  Ni  Ni70  1  0.11776900  0.38223100  0.88223100  1
  Ni  Ni71  1  0.88223100  0.61776900  0.88223100  1
  Ni  Ni72  1  0.88223100  0.38223100  0.11776900  1
  Ni  Ni73  1  0.11776900  0.38223100  0.11776900  1
  Ni  Ni74  1  0.11776900  0.61776900  0.88223100  1
  Ni  Ni75  1  0.88223100  0.61776900  0.11776900  1
  Ni  Ni76  1  0.11776900  0.61776900  0.11776900  1
  Ni  Ni77  1  0.83449200  0.83449200  0.16550800  1
  Ni  Ni78  1  0.83449200  0.66550800  0.33449200  1
  Ni  Ni79  1  0.16550800  0.16550800  0.83449200  1
  Ni  Ni80  1  0.16550800  0.33449200  0.66550800  1
  Ni  Ni81  1  0.33449200  0.16550800  0.66550800  1
  Ni  Ni82  1  0.66550800  0.66550800  0.16550800  1
  Ni  Ni83  1  0.88223100  0.38223100  0.88223100  1
  Ni  Ni84  1  0.16550800  0.33449200  0.33449200  1
  Ni  Ni85  1  0.83449200  0.83449200  0.83449200  1
  Ni  Ni86  1  0.61776900  0.88223100  0.88223100  1
  Ni  Ni87  1  0.38223100  0.11776900  0.88223100  1
  Ni  Ni88  1  0.38223100  0.88223100  0.11776900  1
  Ni  Ni89  1  0.61776900  0.88223100  0.11776900  1
  Ni  Ni90  1  0.61776900  0.11776900  0.88223100  1
  Ni  Ni91  1  0.38223100  0.11776900  0.11776900  1
  Ni  Ni92  1  0.61776900  0.11776900  0.11776900  1
  Ni  Ni93  1  0.33449200  0.33449200  0.16550800  1
  Ni  Ni94  1  0.33449200  0.16550800  0.33449200  1
  Ni  Ni95  1  0.66550800  0.66550800  0.83449200  1
  Ni  Ni96  1  0.66550800  0.83449200  0.66550800  1
  Ni  Ni97  1  0.83449200  0.66550800  0.66550800  1
  Ni  Ni98  1  0.16550800  0.16550800  0.16550800  1
  Ni  Ni99  1  0.38223100  0.88223100  0.88223100  1
  Ni  Ni100  1  0.16550800  0.83449200  0.83449200  1
  Ni  Ni101  1  0.83449200  0.33449200  0.33449200  1
  Ni  Ni102  1  0.61776900  0.38223100  0.38223100  1
  Ni  Ni103  1  0.38223100  0.61776900  0.38223100  1
  Ni  Ni104  1  0.38223100  0.38223100  0.61776900  1
  Ni  Ni105  1  0.61776900  0.38223100  0.61776900  1
  Ni  Ni106  1  0.61776900  0.61776900  0.38223100  1
  Ni  Ni107  1  0.38223100  0.61776900  0.61776900  1
  Ni  Ni108  1  0.61776900  0.61776900  0.61776900  1
  Ni  Ni109  1  0.33449200  0.83449200  0.66550800  1
  Ni  Ni110  1  0.33449200  0.66550800  0.83449200  1
  Ni  Ni111  1  0.66550800  0.16550800  0.33449200  1
  Ni  Ni112  1  0.66550800  0.33449200  0.16550800  1
  Ni  Ni113  1  0.83449200  0.16550800  0.16550800  1
  Ni  Ni114  1  0.16550800  0.66550800  0.66550800  1
  Ni  Ni115  1  0.38223100  0.38223100  0.38223100  1
