data_[Ta18Ti3Nb36]
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 [R-3]
_cell_length_a [10.0646]
_cell_length_b [10.0646]
_cell_length_c [12.2842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ta6TiNb12]
_chemical_formula_sum '[Ta18 Ti3 Nb36]'
_cell_volume [1077.6332]
_cell_formula_units_Z [3]
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  18  0.0324  0.4390  0.7070  1
  Ti  Ti1  3  0.0000  0.0000  0.0000  1
  Nb  Nb2  18  0.0463  0.1821  0.8055  1
  Nb  Nb3  18  0.0634  0.8369  0.4160  1
]