data_[Cs4Hg12Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [9.7087]
_cell_length_b [10.4588]
_cell_length_c [6.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [CsHg3Pb]
_chemical_formula_sum '[Cs4 Hg12 Pb4]'
_cell_volume [694.9582]
_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
[
  Cs  Cs0  4  0.1564  0.5000  0.5000  1.0
  Hg  Hg1  8  0.2129  0.3487  0.9953  1.0
  Hg  Hg2  4  0.0000  0.1475  0.2500  1.0
  Pb  Pb3  4  0.0000  0.1651  0.7500  1.0
]