# generated using pymatgen
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25135342
_cell_length_b   2.74139280
_cell_length_c   4.58040356
_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   'Ti2 Ni2'
_cell_volume   53.38290717
_cell_formula_units_Z   2
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  0.75000000  0.71732500  1
  Ti  Ti1  1  0.50000000  0.25000000  0.28267500  1
  Ni  Ni2  1  0.00000000  0.75000000  0.19015300  1
  Ni  Ni3  1  0.00000000  0.25000000  0.80984700  1
