data_[Ta6Nb26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.6275]
_cell_length_b [9.3749]
_cell_length_c [9.3784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ta3Nb13]
_chemical_formula_sum '[Ta6 Nb26]'
_cell_volume [582.7027]
_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
[
  Ta  Ta0  4  0.2501  0.0000  0.9999  1.0
  Ta  Ta1  2  0.0000  0.0000  0.2502  1.0
  Nb  Nb2  8  0.2501  0.2499  0.7500  1.0
  Nb  Nb3  4  0.0000  0.2498  0.5000  1.0
  Nb  Nb4  4  0.2501  0.0000  0.5001  1.0
  Nb  Nb5  4  0.5000  0.2498  0.5000  1.0
  Nb  Nb6  2  0.0000  0.0000  0.7498  1.0
  Nb  Nb7  2  0.5000  0.0000  0.2502  1.0
  Nb  Nb8  2  0.5000  0.0000  0.7497  1.0
]