data_[Li4Hg8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2114]
_cell_length_b [3.4850]
_cell_length_c [12.5205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHg2Pb3]
_chemical_formula_sum '[Li4 Hg8 Pb12]'
_cell_volume [661.6944]
_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
[
  Li  Li0  4  0.0906  0.5000  0.6881  1.0
  Hg  Hg1  4  0.0845  0.5000  0.4668  1.0
  Hg  Hg2  4  0.1890  0.0000  0.8614  1.0
  Pb  Pb3  4  0.0405  0.0000  0.2210  1.0
  Pb  Pb4  4  0.1078  0.5000  0.0251  1.0
  Pb  Pb5  4  0.2447  0.5000  0.3549  1.0
]