data_[Nd4Hg16Pb2]
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 [18.0754]
_cell_length_b [4.8169]
_cell_length_c [7.2916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5801]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Hg8Pb]
_chemical_formula_sum '[Nd4 Hg16 Pb2]'
_cell_volume [594.3454]
_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  0.2157  0.0000  0.6907  1.0
  Hg  Hg1  4  0.0307  0.0000  0.7151  1.0
  Hg  Hg2  4  0.1139  0.5000  0.4295  1.0
  Hg  Hg3  4  0.1513  0.5000  0.8826  1.0
  Hg  Hg4  4  0.1541  0.0000  0.1925  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]