data_[Nd4Hg8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6143]
_cell_length_b [11.2013]
_cell_length_c [9.3001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdHg2Pb3]
_chemical_formula_sum '[Nd4 Hg8 Pb12]'
_cell_volume [688.4207]
_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  0.0000  0.0927  0.7500  1
  Hg  Hg1  8  0.1982  0.1276  0.4373  1
  Pb  Pb2  8  0.1914  0.3639  0.8938  1
  Pb  Pb3  4  0.0000  0.3669  0.2500  1
]