# generated using pymatgen
data_TiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79988600
_cell_length_b   4.17109013
_cell_length_c   4.67097924
_cell_angle_alpha   89.89054516
_cell_angle_beta   95.55133370
_cell_angle_gamma   89.98201905
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi
_chemical_formula_sum   'Ti2 Ni2'
_cell_volume   54.29443885
_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  0.56460800  0.25044700  0.28832200  1.0
  Ti  Ti1  1  0.43539200  0.74955300  0.71167800  1.0
  Ni  Ni2  1  0.02095900  0.75054000  0.17804700  1.0
  Ni  Ni3  1  0.97904100  0.24946000  0.82195300  1.0