data_[Nd16Ru4Pb2]
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 [8.8953]
_cell_length_b [13.6412]
_cell_length_c [5.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ru2Pb]
_chemical_formula_sum '[Nd16 Ru4 Pb2]'
_cell_volume [671.0032]
_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  8  0.2001  0.1278  0.0599  1.0
  Nd  Nd1  4  0.0000  0.2484  0.5000  1.0
  Nd  Nd2  4  0.1041  0.5000  0.2988  1.0
  Ru  Ru3  4  0.0000  0.3001  0.0000  1.0
  Pb  Pb4  2  0.0000  0.0000  0.5000  1.0
]