# generated using pymatgen
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15804673
_cell_length_b   6.15804673
_cell_length_c   11.53478078
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi
_chemical_formula_sum   'Ti16 Ni16'
_cell_volume   437.41664531
_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  0.50000000  0.50000000  0.22816000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.27184000  1
  Ti  Ti2  1  0.00000000  0.50000000  0.25000000  1
  Ti  Ti3  1  0.50000000  0.00000000  0.25000000  1
  Ti  Ti4  1  0.50000000  0.00000000  0.00000000  1
  Ti  Ti5  1  0.00000000  0.50000000  0.00000000  1
  Ti  Ti6  1  0.50000000  0.50000000  0.00000000  1
  Ti  Ti7  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti8  1  0.00000000  0.00000000  0.72816000  1
  Ti  Ti9  1  0.50000000  0.50000000  0.77184000  1
  Ti  Ti10  1  0.50000000  0.00000000  0.75000000  1
  Ti  Ti11  1  0.00000000  0.50000000  0.75000000  1
  Ti  Ti12  1  0.00000000  0.50000000  0.50000000  1
  Ti  Ti13  1  0.50000000  0.00000000  0.50000000  1
  Ti  Ti14  1  0.00000000  0.00000000  0.50000000  1
  Ti  Ti15  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni16  1  0.72457800  0.72457800  0.37010600  1
  Ni  Ni17  1  0.27542200  0.27542200  0.37010600  1
  Ni  Ni18  1  0.27542200  0.72457800  0.37010600  1
  Ni  Ni19  1  0.72457800  0.27542200  0.37010600  1
  Ni  Ni20  1  0.77542200  0.77542200  0.12989400  1
  Ni  Ni21  1  0.22457800  0.22457800  0.12989400  1
  Ni  Ni22  1  0.22457800  0.77542200  0.12989400  1
  Ni  Ni23  1  0.77542200  0.22457800  0.12989400  1
  Ni  Ni24  1  0.22457800  0.22457800  0.87010600  1
  Ni  Ni25  1  0.77542200  0.77542200  0.87010600  1
  Ni  Ni26  1  0.77542200  0.22457800  0.87010600  1
  Ni  Ni27  1  0.22457800  0.77542200  0.87010600  1
  Ni  Ni28  1  0.27542200  0.27542200  0.62989400  1
  Ni  Ni29  1  0.72457800  0.72457800  0.62989400  1
  Ni  Ni30  1  0.72457800  0.27542200  0.62989400  1
  Ni  Ni31  1  0.27542200  0.72457800  0.62989400  1
