data_[Ta22Nb6]
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 [Immm]
_cell_length_a [4.8782]
_cell_length_b [8.3117]
_cell_length_c [13.1961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta11Nb3]
_chemical_formula_sum '[Ta22 Nb6]'
_cell_volume [535.0495]
_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  8  0.0000  0.1641  0.2105  1
  Ta  Ta1  8  0.0000  0.3172  0.3962  1
  Ta  Ta2  4  0.0000  0.5000  0.1844  1
  Ta  Ta3  2  0.0000  0.0000  0.5000  1
  Nb  Nb4  4  0.0000  0.3188  0.0000  1
  Nb  Nb5  2  0.0000  0.0000  0.0000  1
]