data_[Ti2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.9155]
_cell_length_b [4.0550]
_cell_length_c [4.7541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiNi]
_chemical_formula_sum '[Ti2 Ni2]'
_cell_volume [55.1842]
_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  2  0.3955  0.2500  0.7153  1.0
  Ni  Ni1  2  0.0567  0.2500  0.1720  1.0
]