# generated using pymatgen
data_Ti4FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.26514194
_cell_length_b   11.26514194
_cell_length_c   11.26514194
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4FeNi
_chemical_formula_sum   'Ti64 Fe16 Ni16'
_cell_volume   1429.58507196
_cell_formula_units_Z   16
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  0.37520100  0.62479900  0.12479900  1
  Ti  Ti1  1  0.62479900  0.37520100  0.12479900  1
  Ti  Ti2  1  0.62479900  0.62479900  0.87520100  1
  Ti  Ti3  1  0.37520100  0.37520100  0.87520100  1
  Ti  Ti4  1  0.75000000  0.75000000  0.05844600  1
  Ti  Ti5  1  0.75000000  0.25000000  0.94155400  1
  Ti  Ti6  1  0.75000000  0.55844600  0.25000000  1
  Ti  Ti7  1  0.75000000  0.94155400  0.25000000  1
  Ti  Ti8  1  0.55844600  0.75000000  0.25000000  1
  Ti  Ti9  1  0.94155400  0.75000000  0.25000000  1
  Ti  Ti10  1  0.00000000  0.50000000  0.18464200  1
  Ti  Ti11  1  0.00000000  0.00000000  0.31535800  1
  Ti  Ti12  1  0.00000000  0.68464200  0.00000000  1
  Ti  Ti13  1  0.00000000  0.31535800  0.00000000  1
  Ti  Ti14  1  0.18464200  0.50000000  0.00000000  1
  Ti  Ti15  1  0.81535800  0.50000000  0.00000000  1
  Ti  Ti16  1  0.37520100  0.12479900  0.62479900  1
  Ti  Ti17  1  0.62479900  0.87520100  0.62479900  1
  Ti  Ti18  1  0.62479900  0.12479900  0.37520100  1
  Ti  Ti19  1  0.37520100  0.87520100  0.37520100  1
  Ti  Ti20  1  0.75000000  0.25000000  0.55844600  1
  Ti  Ti21  1  0.75000000  0.75000000  0.44155400  1
  Ti  Ti22  1  0.75000000  0.05844600  0.75000000  1
  Ti  Ti23  1  0.75000000  0.44155400  0.75000000  1
  Ti  Ti24  1  0.55844600  0.25000000  0.75000000  1
  Ti  Ti25  1  0.94155400  0.25000000  0.75000000  1
  Ti  Ti26  1  0.00000000  0.00000000  0.68464200  1
  Ti  Ti27  1  0.00000000  0.50000000  0.81535800  1
  Ti  Ti28  1  0.00000000  0.18464200  0.50000000  1
  Ti  Ti29  1  0.00000000  0.81535800  0.50000000  1
  Ti  Ti30  1  0.18464200  0.00000000  0.50000000  1
  Ti  Ti31  1  0.81535800  0.00000000  0.50000000  1
  Ti  Ti32  1  0.87520100  0.62479900  0.62479900  1
  Ti  Ti33  1  0.12479900  0.37520100  0.62479900  1
  Ti  Ti34  1  0.12479900  0.62479900  0.37520100  1
  Ti  Ti35  1  0.87520100  0.37520100  0.37520100  1
  Ti  Ti36  1  0.25000000  0.75000000  0.55844600  1
  Ti  Ti37  1  0.25000000  0.25000000  0.44155400  1
  Ti  Ti38  1  0.25000000  0.55844600  0.75000000  1
  Ti  Ti39  1  0.25000000  0.94155400  0.75000000  1
  Ti  Ti40  1  0.05844600  0.75000000  0.75000000  1
  Ti  Ti41  1  0.44155400  0.75000000  0.75000000  1
  Ti  Ti42  1  0.50000000  0.50000000  0.68464200  1
  Ti  Ti43  1  0.50000000  0.00000000  0.81535800  1
  Ti  Ti44  1  0.50000000  0.68464200  0.50000000  1
  Ti  Ti45  1  0.50000000  0.31535800  0.50000000  1
  Ti  Ti46  1  0.68464200  0.50000000  0.50000000  1
  Ti  Ti47  1  0.31535800  0.50000000  0.50000000  1
  Ti  Ti48  1  0.87520100  0.12479900  0.12479900  1
  Ti  Ti49  1  0.12479900  0.87520100  0.12479900  1
  Ti  Ti50  1  0.12479900  0.12479900  0.87520100  1
  Ti  Ti51  1  0.87520100  0.87520100  0.87520100  1
  Ti  Ti52  1  0.25000000  0.25000000  0.05844600  1
  Ti  Ti53  1  0.25000000  0.75000000  0.94155400  1
  Ti  Ti54  1  0.25000000  0.05844600  0.25000000  1
  Ti  Ti55  1  0.25000000  0.44155400  0.25000000  1
  Ti  Ti56  1  0.05844600  0.25000000  0.25000000  1
  Ti  Ti57  1  0.44155400  0.25000000  0.25000000  1
  Ti  Ti58  1  0.50000000  0.00000000  0.18464200  1
  Ti  Ti59  1  0.50000000  0.50000000  0.31535800  1
  Ti  Ti60  1  0.50000000  0.18464200  0.00000000  1
  Ti  Ti61  1  0.50000000  0.81535800  0.00000000  1
  Ti  Ti62  1  0.68464200  0.00000000  0.00000000  1
  Ti  Ti63  1  0.31535800  0.00000000  0.00000000  1
  Fe  Fe64  1  0.16172700  0.83827300  0.33827300  1
  Fe  Fe65  1  0.83827300  0.16172700  0.33827300  1
  Fe  Fe66  1  0.83827300  0.33827300  0.16172700  1
  Fe  Fe67  1  0.16172700  0.66172700  0.16172700  1
  Fe  Fe68  1  0.16172700  0.33827300  0.83827300  1
  Fe  Fe69  1  0.83827300  0.66172700  0.83827300  1
  Fe  Fe70  1  0.83827300  0.83827300  0.66172700  1
  Fe  Fe71  1  0.16172700  0.16172700  0.66172700  1
  Fe  Fe72  1  0.66172700  0.83827300  0.83827300  1
  Fe  Fe73  1  0.33827300  0.16172700  0.83827300  1
  Fe  Fe74  1  0.33827300  0.33827300  0.66172700  1
  Fe  Fe75  1  0.66172700  0.66172700  0.66172700  1
  Fe  Fe76  1  0.66172700  0.33827300  0.33827300  1
  Fe  Fe77  1  0.33827300  0.66172700  0.33827300  1
  Fe  Fe78  1  0.33827300  0.83827300  0.16172700  1
  Fe  Fe79  1  0.66172700  0.16172700  0.16172700  1
  Ni  Ni80  1  0.59222800  0.40777200  0.90777200  1
  Ni  Ni81  1  0.90777200  0.09222800  0.90777200  1
  Ni  Ni82  1  0.90777200  0.90777200  0.09222800  1
  Ni  Ni83  1  0.59222800  0.59222800  0.09222800  1
  Ni  Ni84  1  0.59222800  0.90777200  0.40777200  1
  Ni  Ni85  1  0.90777200  0.59222800  0.40777200  1
  Ni  Ni86  1  0.90777200  0.40777200  0.59222800  1
  Ni  Ni87  1  0.59222800  0.09222800  0.59222800  1
  Ni  Ni88  1  0.09222800  0.40777200  0.40777200  1
  Ni  Ni89  1  0.40777200  0.09222800  0.40777200  1
  Ni  Ni90  1  0.40777200  0.90777200  0.59222800  1
  Ni  Ni91  1  0.09222800  0.59222800  0.59222800  1
  Ni  Ni92  1  0.09222800  0.90777200  0.90777200  1
  Ni  Ni93  1  0.40777200  0.59222800  0.90777200  1
  Ni  Ni94  1  0.40777200  0.40777200  0.09222800  1
  Ni  Ni95  1  0.09222800  0.09222800  0.09222800  1
