data_[La4Nd4B16Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [F222]
_cell_length_a [6.5529]
_cell_length_b [9.1631]
_cell_length_c [10.0919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [22]
_chemical_formula_structural [LaNd(BRu)4]
_chemical_formula_sum '[La4 Nd4 B16 Ru16]'
_cell_volume [605.9662]
_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
[
  La  La0  4  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.2500  0.2500  0.2500  1
  B  B2  8  0.0000  0.1801  0.5000  1
  B  B3  8  0.2500  0.0683  0.7500  1
  Ru  Ru4  8  0.0000  0.0000  0.3630  1
  Ru  Ru5  8  0.2500  0.2500  0.6132  1
]