data_[Hg6Bi4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3443]
_cell_length_b [4.9711]
_cell_length_c [22.1570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hg3Bi2Pb3]
_chemical_formula_sum '[Hg6 Bi4 Pb6]'
_cell_volume [478.4940]
_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  0.0000  0.3801  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi2  4  0.0000  0.5000  0.2462  1.0
  Pb  Pb3  4  0.0000  0.0000  0.1305  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
]