data_[Nb26W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.5653]
_cell_length_b [9.3122]
_cell_length_c [9.3199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nb13W3]
_chemical_formula_sum '[Nb26 W6]'
_cell_volume [569.7930]
_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
[
  Nb  Nb0  8  0.2481  0.2481  0.2500  1.0
  Nb  Nb1  4  0.0000  0.2467  1.0000  1.0
  Nb  Nb2  4  0.2480  0.0000  0.4980  1.0
  Nb  Nb3  4  0.5000  0.2461  0.0001  1.0
  Nb  Nb4  2  0.0000  0.0000  0.7539  1.0
  Nb  Nb5  2  0.5000  0.0000  0.2464  1.0
  Nb  Nb6  2  0.5000  0.0000  0.7537  1.0
  W  W7  4  0.2478  0.0000  0.0022  1.0
  W  W8  2  0.0000  0.0000  0.2454  1.0
]