data_[Nd12Hg4Pb12]
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/m]
_cell_length_a [11.9969]
_cell_length_b [4.7228]
_cell_length_c [15.8636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6164]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3HgPb3]
_chemical_formula_sum '[Nd12 Hg4 Pb12]'
_cell_volume [856.6587]
_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  0.0248  0.5000  0.3754  1
  Nd  Nd1  4  0.0995  0.5000  0.9232  1
  Nd  Nd2  4  0.2275  0.5000  0.2222  1
  Hg  Hg3  4  0.2494  0.0000  0.3584  1
  Pb  Pb4  4  0.0021  0.0000  0.7744  1
  Pb  Pb5  4  0.1269  0.0000  0.0731  1
  Pb  Pb6  4  0.1427  0.0000  0.5290  1
]