# generated using pymatgen
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85620424
_cell_length_b   4.08604235
_cell_length_c   4.58675763
_cell_angle_alpha   90.00006215
_cell_angle_beta   90.00009919
_cell_angle_gamma   90.00007297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi
_chemical_formula_sum   'Ti2 Ni2'
_cell_volume   53.53008280
_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  0.25000000  0.27440606  1.0
  Ti  Ti1  1  0.50000000  0.75000000  0.72558994  1.0
  Ni  Ni2  1  0.00000000  0.25000000  0.82097241  1.0
  Ni  Ni3  1  -0.00000000  0.75000000  0.17903059  1.0