data_[Nd16Cd2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [8.7835]
_cell_length_b [13.7749]
_cell_length_c [5.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8CdRu2]
_chemical_formula_sum '[Nd16 Cd2 Ru4]'
_cell_volume [671.2772]
_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
[
  Nd  Nd0  8  0.2028  0.1275  0.0614  1
  Nd  Nd1  4  0.0000  0.2485  0.5000  1
  Nd  Nd2  4  0.1037  0.5000  0.2987  1
  Cd  Cd3  2  0.0000  0.0000  0.5000  1
  Ru  Ru4  4  0.0000  0.2970  0.0000  1
]