data_[Nb4Cd4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7749]
_cell_length_b [4.5787]
_cell_length_c [5.9583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbCdRu]
_chemical_formula_sum '[Nb4 Cd4 Ru4]'
_cell_volume [211.5080]
_cell_formula_units_Z [4]
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  4  0.1643  0.0000  0.5661  1
  Cd  Cd1  4  0.1660  0.0000  0.0601  1
  Ru  Ru2  4  0.0328  0.5000  0.2872  1
]