data_[Nd8Hg4Pb8]
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 [12.0660]
_cell_length_b [4.7455]
_cell_length_c [11.7030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2HgPb2]
_chemical_formula_sum '[Nd8 Hg4 Pb8]'
_cell_volume [609.8703]
_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  0.0041  0.0000  0.3232  1.0
  Nd  Nd1  4  0.1773  0.0000  0.1003  1.0
  Hg  Hg2  4  0.2265  0.5000  0.2961  1.0
  Pb  Pb3  4  0.0492  0.5000  0.8888  1.0
  Pb  Pb4  4  0.1487  0.5000  0.5415  1.0
]