data_[Ti8Fe2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2408]
_cell_length_b [9.6254]
_cell_length_c [4.2332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti4FeNi]
_chemical_formula_sum '[Ti8 Fe2 Ni2]'
_cell_volume [172.7994]
_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  4  0.0000  0.1563  0.5000  1.0
  Ti  Ti1  4  0.0000  0.3451  0.0000  1.0
  Fe  Fe2  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
]