data_[Nd12Cd2Ru4]
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 [10.4447]
_cell_length_b [5.2518]
_cell_length_c [9.3630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6CdRu2]
_chemical_formula_sum '[Nd12 Cd2 Ru4]'
_cell_volume [502.7551]
_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  4  0.0382  0.0000  0.8469  1.0
  Nd  Nd1  4  0.1619  0.5000  0.3846  1.0
  Nd  Nd2  4  0.2073  0.5000  0.8362  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.1136  0.5000  0.0971  1.0
]