data_[Nd12Hg4Pb8]
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 [17.0160]
_cell_length_b [6.6000]
_cell_length_c [6.6262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3HgPb2]
_chemical_formula_sum '[Nd12 Hg4 Pb8]'
_cell_volume [725.7976]
_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  8  0.1697  0.1093  0.1014  1.0
  Nd  Nd1  4  0.0000  0.3517  0.7500  1.0
  Hg  Hg2  4  0.0000  0.1323  0.2500  1.0
  Pb  Pb3  8  0.1593  0.3958  0.5542  1.0
]