data_[Hg4Sb2Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1076]
_cell_length_b [14.4839]
_cell_length_c [9.3781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Hg2SbPb6]
_chemical_formula_sum '[Hg4 Sb2 Pb12]'
_cell_volume [557.9453]
_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
[
  Hg  Hg0  4  0.0000  0.1806  0.5058  1.0
  Sb  Sb1  2  0.5000  0.0000  0.9673  1.0
  Pb  Pb2  4  0.0000  0.1215  0.1569  1.0
  Pb  Pb3  4  0.5000  0.1991  0.8030  1.0
  Pb  Pb4  2  0.0000  0.0000  0.7021  1.0
  Pb  Pb5  2  0.5000  0.0000  0.3992  1.0
]