data_[Hg2Sb4Pb12]
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 [C2/m]
_cell_length_a [11.8095]
_cell_length_b [4.2889]
_cell_length_c [11.4905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(SbPb3)2]
_chemical_formula_sum '[Hg2 Sb4 Pb12]'
_cell_volume [561.9671]
_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  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  4  0.1973  0.5000  0.2286  1.0
  Pb  Pb2  4  0.0230  0.0000  0.3194  1.0
  Pb  Pb3  4  0.1560  0.5000  0.8959  1.0
  Pb  Pb4  4  0.1671  0.5000  0.5707  1.0
]