# generated using pymatgen
data_Ti2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.22052220
_cell_length_b   11.22052220
_cell_length_c   11.22052220
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Fe
_chemical_formula_sum   'Ti64 Fe32'
_cell_volume   1412.66507395
_cell_formula_units_Z   32
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  0.12500000  0.87500000  0.37500000  1
  Ti  Ti1  1  0.37500000  0.12500000  0.87500000  1
  Ti  Ti2  1  0.37500000  0.37500000  0.62500000  1
  Ti  Ti3  1  0.12500000  0.12500000  0.62500000  1
  Ti  Ti4  1  0.50000000  0.00000000  0.31025200  1
  Ti  Ti5  1  0.50000000  0.00000000  0.68974800  1
  Ti  Ti6  1  0.50000000  0.81025200  0.50000000  1
  Ti  Ti7  1  0.50000000  0.18974800  0.50000000  1
  Ti  Ti8  1  0.31025200  0.00000000  0.50000000  1
  Ti  Ti9  1  0.18974800  0.00000000  0.00000000  1
  Ti  Ti10  1  0.25000000  0.25000000  0.43974800  1
  Ti  Ti11  1  0.25000000  0.25000000  0.06025200  1
  Ti  Ti12  1  0.25000000  0.43974800  0.25000000  1
  Ti  Ti13  1  0.25000000  0.06025200  0.25000000  1
  Ti  Ti14  1  0.43974800  0.25000000  0.25000000  1
  Ti  Ti15  1  0.56025200  0.25000000  0.75000000  1
  Ti  Ti16  1  0.12500000  0.37500000  0.87500000  1
  Ti  Ti17  1  0.37500000  0.62500000  0.37500000  1
  Ti  Ti18  1  0.37500000  0.87500000  0.12500000  1
  Ti  Ti19  1  0.12500000  0.62500000  0.12500000  1
  Ti  Ti20  1  0.50000000  0.50000000  0.81025200  1
  Ti  Ti21  1  0.50000000  0.50000000  0.18974800  1
  Ti  Ti22  1  0.50000000  0.31025200  0.00000000  1
  Ti  Ti23  1  0.50000000  0.68974800  0.00000000  1
  Ti  Ti24  1  0.31025200  0.50000000  0.00000000  1
  Ti  Ti25  1  0.18974800  0.50000000  0.50000000  1
  Ti  Ti26  1  0.25000000  0.75000000  0.93974800  1
  Ti  Ti27  1  0.25000000  0.75000000  0.56025200  1
  Ti  Ti28  1  0.25000000  0.93974800  0.75000000  1
  Ti  Ti29  1  0.25000000  0.56025200  0.75000000  1
  Ti  Ti30  1  0.43974800  0.75000000  0.75000000  1
  Ti  Ti31  1  0.56025200  0.75000000  0.25000000  1
  Ti  Ti32  1  0.62500000  0.87500000  0.87500000  1
  Ti  Ti33  1  0.87500000  0.12500000  0.37500000  1
  Ti  Ti34  1  0.87500000  0.37500000  0.12500000  1
  Ti  Ti35  1  0.62500000  0.12500000  0.12500000  1
  Ti  Ti36  1  0.00000000  0.00000000  0.81025200  1
  Ti  Ti37  1  0.00000000  0.00000000  0.18974800  1
  Ti  Ti38  1  0.00000000  0.81025200  0.00000000  1
  Ti  Ti39  1  0.00000000  0.18974800  0.00000000  1
  Ti  Ti40  1  0.81025200  0.00000000  0.00000000  1
  Ti  Ti41  1  0.68974800  0.00000000  0.50000000  1
  Ti  Ti42  1  0.75000000  0.25000000  0.93974800  1
  Ti  Ti43  1  0.75000000  0.25000000  0.56025200  1
  Ti  Ti44  1  0.75000000  0.43974800  0.75000000  1
  Ti  Ti45  1  0.75000000  0.06025200  0.75000000  1
  Ti  Ti46  1  0.93974800  0.25000000  0.75000000  1
  Ti  Ti47  1  0.06025200  0.25000000  0.25000000  1
  Ti  Ti48  1  0.62500000  0.37500000  0.37500000  1
  Ti  Ti49  1  0.87500000  0.62500000  0.87500000  1
  Ti  Ti50  1  0.87500000  0.87500000  0.62500000  1
  Ti  Ti51  1  0.62500000  0.62500000  0.62500000  1
  Ti  Ti52  1  0.00000000  0.50000000  0.31025200  1
  Ti  Ti53  1  0.00000000  0.50000000  0.68974800  1
  Ti  Ti54  1  0.00000000  0.31025200  0.50000000  1
  Ti  Ti55  1  0.00000000  0.68974800  0.50000000  1
  Ti  Ti56  1  0.81025200  0.50000000  0.50000000  1
  Ti  Ti57  1  0.68974800  0.50000000  0.00000000  1
  Ti  Ti58  1  0.75000000  0.75000000  0.43974800  1
  Ti  Ti59  1  0.75000000  0.75000000  0.06025200  1
  Ti  Ti60  1  0.75000000  0.93974800  0.25000000  1
  Ti  Ti61  1  0.75000000  0.56025200  0.25000000  1
  Ti  Ti62  1  0.93974800  0.75000000  0.25000000  1
  Ti  Ti63  1  0.06025200  0.75000000  0.75000000  1
  Fe  Fe64  1  0.41201900  0.08798100  0.08798100  1
  Fe  Fe65  1  0.58798100  0.41201900  0.58798100  1
  Fe  Fe66  1  0.58798100  0.08798100  0.91201900  1
  Fe  Fe67  1  0.41201900  0.41201900  0.41201900  1
  Fe  Fe68  1  0.33798100  0.16201900  0.66201900  1
  Fe  Fe69  1  0.16201900  0.83798100  0.16201900  1
  Fe  Fe70  1  0.16201900  0.16201900  0.83798100  1
  Fe  Fe71  1  0.33798100  0.83798100  0.33798100  1
  Fe  Fe72  1  0.41201900  0.58798100  0.58798100  1
  Fe  Fe73  1  0.58798100  0.91201900  0.08798100  1
  Fe  Fe74  1  0.58798100  0.58798100  0.41201900  1
  Fe  Fe75  1  0.41201900  0.91201900  0.91201900  1
  Fe  Fe76  1  0.33798100  0.66201900  0.16201900  1
  Fe  Fe77  1  0.16201900  0.33798100  0.66201900  1
  Fe  Fe78  1  0.16201900  0.66201900  0.33798100  1
  Fe  Fe79  1  0.33798100  0.33798100  0.83798100  1
  Fe  Fe80  1  0.91201900  0.08798100  0.58798100  1
  Fe  Fe81  1  0.08798100  0.41201900  0.08798100  1
  Fe  Fe82  1  0.08798100  0.08798100  0.41201900  1
  Fe  Fe83  1  0.91201900  0.41201900  0.91201900  1
  Fe  Fe84  1  0.83798100  0.16201900  0.16201900  1
  Fe  Fe85  1  0.66201900  0.83798100  0.66201900  1
  Fe  Fe86  1  0.66201900  0.16201900  0.33798100  1
  Fe  Fe87  1  0.83798100  0.83798100  0.83798100  1
  Fe  Fe88  1  0.91201900  0.58798100  0.08798100  1
  Fe  Fe89  1  0.08798100  0.91201900  0.58798100  1
  Fe  Fe90  1  0.08798100  0.58798100  0.91201900  1
  Fe  Fe91  1  0.91201900  0.91201900  0.41201900  1
  Fe  Fe92  1  0.83798100  0.66201900  0.66201900  1
  Fe  Fe93  1  0.66201900  0.33798100  0.16201900  1
  Fe  Fe94  1  0.66201900  0.66201900  0.83798100  1
  Fe  Fe95  1  0.83798100  0.33798100  0.33798100  1
