data_[Nd4Sb12Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.0037]
_cell_length_b [6.2121]
_cell_length_c [6.0994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [NdSb3Ru]
_chemical_formula_sum '[Nd4 Sb12 Ru4]'
_cell_volume [492.7086]
_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
[
  Nd  Nd0  4  0.3042  0.5001  0.2500  1.0
  Sb  Sb1  4  0.0577  0.6002  0.2500  1.0
  Sb  Sb2  4  0.2173  0.5143  0.7500  1.0
  Sb  Sb3  4  0.4979  0.2500  0.0000  1.0
  Ru  Ru4  4  0.0993  0.2500  0.0000  1.0
]