data_[Ta4Ti8Nb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.4627]
_cell_length_b [5.5633]
_cell_length_c [5.4091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaTi2Nb]
_chemical_formula_sum '[Ta4 Ti8 Nb4]'
_cell_volume [284.2468]
_cell_formula_units_Z [4]
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
[
  Ta  Ta0  4  0.3677  0.6241  0.1202  1
  Ti  Ti1  4  0.1166  0.6286  0.3975  1
  Ti  Ti2  4  0.3836  0.1290  0.0947  1
  Nb  Nb3  4  0.1336  0.1210  0.3720  1
]