data_[Hg6Sb2Pb12]
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 [P2_1/m]
_cell_length_a [11.2460]
_cell_length_b [4.0733]
_cell_length_c [14.5049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hg3SbPb6]
_chemical_formula_sum '[Hg6 Sb2 Pb12]'
_cell_volume [621.2734]
_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  0.2166  0.7500  0.1632  1.0
  Hg  Hg1  2  0.2202  0.2500  0.5673  1.0
  Hg  Hg2  2  0.4584  0.2500  0.2087  1.0
  Sb  Sb3  2  0.0743  0.7500  0.7956  1.0
  Pb  Pb4  2  0.0302  0.7500  0.3955  1.0
  Pb  Pb5  2  0.1145  0.2500  0.9740  1.0
  Pb  Pb6  2  0.2443  0.2500  0.3398  1.0
  Pb  Pb7  2  0.3000  0.2500  0.7968  1.0
  Pb  Pb8  2  0.3793  0.7500  0.0086  1.0
  Pb  Pb9  2  0.4249  0.7500  0.5536  1.0
]