data_[Ce4Nd8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1162]
_cell_length_b [3.9047]
_cell_length_c [11.6729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(NdRu)2]
_chemical_formula_sum '[Ce4 Nd8 Ru8]'
_cell_volume [500.2695]
_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
[
  Ce  Ce0  4  0.1353  0.0000  0.3487  1
  Nd  Nd1  4  0.0951  0.5000  0.9298  1
  Nd  Nd2  4  0.1531  0.0000  0.6838  1
  Ru  Ru3  4  0.0718  0.5000  0.4412  1
  Ru  Ru4  4  0.1196  0.0000  0.1368  1
]