data_[Nb26Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [6.5326]
_cell_length_b [9.2249]
_cell_length_c [9.2073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nb13Ru3]
_chemical_formula_sum '[Nb26 Ru6]'
_cell_volume [554.8584]
_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  0.2472  0.2465  0.7504  1
  Nb  Nb1  4  0.0000  0.2406  0.9980  1
  Nb  Nb2  4  0.2476  0.0000  0.5015  1
  Nb  Nb3  4  0.5000  0.2473  0.0016  1
  Nb  Nb4  2  0.0000  0.0000  0.2472  1
  Nb  Nb5  2  0.5000  0.0000  0.2479  1
  Nb  Nb6  2  0.5000  0.0000  0.7569  1
  Ru  Ru7  4  0.2537  0.0000  0.0029  1
  Ru  Ru8  2  0.0000  0.0000  0.7388  1
]