data_[Ta16Ti12Nb8]
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 [C2/c]
_cell_length_a [12.0714]
_cell_length_b [10.7241]
_cell_length_c [5.1028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Ti3Nb2]
_chemical_formula_sum '[Ta16 Ti12 Nb8]'
_cell_volume [654.7522]
_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  8  0.0690  0.2400  0.0297  1
  Ta  Ta1  8  0.1655  0.3242  0.5709  1
  Ti  Ti2  8  0.0994  0.0739  0.4914  1
  Ti  Ti3  4  0.0000  0.4999  0.7500  1
  Nb  Nb4  8  0.2347  0.4115  0.0791  1
]