data_[Nd4Hg12Pb4]
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 [16.6566]
_cell_length_b [4.9604]
_cell_length_c [6.7233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdHg3Pb]
_chemical_formula_sum '[Nd4 Hg12 Pb4]'
_cell_volume [548.3268]
_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  0.1239  0.0000  0.0239  1.0
  Hg  Hg1  4  0.0981  0.0000  0.5111  1.0
  Hg  Hg2  4  0.1858  0.5000  0.7642  1.0
  Hg  Hg3  4  0.2092  0.5000  0.2921  1.0
  Pb  Pb4  4  0.0059  0.5000  0.2388  1.0
]