data_[Nd16Ru2Pb4]
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/m]
_cell_length_a [19.6933]
_cell_length_b [4.9715]
_cell_length_c [7.2666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8RuPb2]
_chemical_formula_sum '[Nd16 Ru2 Pb4]'
_cell_volume [699.1360]
_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  0.0087  0.0000  0.7780  1.0
  Nd  Nd1  4  0.0925  0.5000  0.4957  1.0
  Nd  Nd2  4  0.1408  0.5000  0.0210  1.0
  Nd  Nd3  4  0.2165  0.0000  0.3367  1.0
  Ru  Ru4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1815  0.0000  0.7713  1.0
]