data_[Nd24Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.7358]
_cell_length_b [13.7358]
_cell_length_c [8.3982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd4Pb3]
_chemical_formula_sum '[Nd24 Pb18]'
_cell_volume [1372.2219]
_cell_formula_units_Z [6]
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  18  0.0345  0.4486  0.8047  1.0
  Nd  Nd1  3  0.0000  -0.0000  0.0000  1.0
  Nd  Nd2  3  0.0000  -0.0000  0.5000  1.0
  Pb  Pb3  18  0.0405  0.2053  0.7526  1.0
]