# generated using pymatgen
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21891958
_cell_length_b   7.21892387
_cell_length_c   5.31250682
_cell_angle_alpha   89.99935317
_cell_angle_beta   89.99916706
_cell_angle_gamma   119.99564796
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi
_chemical_formula_sum   'Ti9 Ni9'
_cell_volume   239.76944721
_cell_formula_units_Z   9
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  0.00000075  0.00000226  -0.00000667  1.0
  Ti  Ti1  1  0.33332466  0.66665881  0.05128167  1.0
  Ti  Ti2  1  0.66666893  0.33333919  0.94872161  1.0
  Ti  Ti3  1  0.33175379  0.98482244  0.34895781  1.0
  Ti  Ti4  1  0.01516726  0.34691995  0.34897433  1.0
  Ti  Ti5  1  0.65307069  0.66824398  0.34896775  1.0
  Ti  Ti6  1  0.66825650  0.01518200  0.65103931  1.0
  Ti  Ti7  1  0.98483518  0.65307625  0.65103303  1.0
  Ti  Ti8  1  0.34691826  0.33175157  0.65103345  1.0
  Ni  Ni9  1  0.00001074  0.99999588  0.49997144  1.0
  Ni  Ni10  1  0.33334053  0.66669459  0.59933823  1.0
  Ni  Ni11  1  0.66665290  0.33329901  0.40066745  1.0
  Ni  Ni12  1  0.30961971  0.97032545  0.86286060  1.0
  Ni  Ni13  1  0.02968283  0.33929508  0.86287925  1.0
  Ni  Ni14  1  0.66071569  0.69041857  0.86286421  1.0
  Ni  Ni15  1  0.69038839  0.02968823  0.13713739  1.0
  Ni  Ni16  1  0.97032171  0.66071021  0.13713554  1.0
  Ni  Ni17  1  0.33927148  0.30957655  0.13714159  1.0