data_[Nb14Ru6]
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 [P6_3mc]
_cell_length_a [8.4366]
_cell_length_b [8.4366]
_cell_length_c [5.7551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Nb7Ru3]
_chemical_formula_sum '[Nb14 Ru6]'
_cell_volume [354.7483]
_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  6  0.0569  0.5284  0.1696  1
  Nb  Nb1  6  0.1221  0.2442  0.4289  1
  Nb  Nb2  2  0.3333  0.6667  0.5077  1
  Ru  Ru3  6  0.2075  0.4150  0.8683  1
]