data_[Nb22Ru18Rh8]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [13.6186]
_cell_length_b [18.6463]
_cell_length_c [3.0526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nb11Ru9Rh4]
_chemical_formula_sum '[Nb22 Ru18 Rh8]'
_cell_volume [775.1728]
_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  0.2414  0.1737  0.0000  1
  Nb  Nb1  4  0.0000  0.1913  0.0000  1
  Nb  Nb2  4  0.0000  0.3786  0.0000  1
  Nb  Nb3  4  0.1980  0.0000  0.0000  1
  Nb  Nb4  2  0.0000  0.0000  0.0000  1
  Ru  Ru5  8  0.1100  0.1051  0.5000  1
  Ru  Ru6  8  0.1103  0.2766  0.5000  1
  Ru  Ru7  2  0.0000  0.5000  0.5000  1
  Rh  Rh8  8  0.1676  0.4254  0.5000  1
]