data_[Nd16Ru4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1420]
_cell_length_b [14.0007]
_cell_length_c [6.3929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4RuPb]
_chemical_formula_sum '[Nd16 Ru4 Pb4]'
_cell_volume [750.2844]
_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  8  0.1105  0.1712  0.5654  1.0
  Nd  Nd1  8  0.2216  0.4303  0.8494  1.0
  Ru  Ru2  4  0.0000  0.0001  0.7500  1.0
  Pb  Pb3  4  0.0000  0.3732  0.2500  1.0
]