data_[Li4Hg12Pb12]
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 [5.9847]
_cell_length_b [10.2439]
_cell_length_c [12.3175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(HgPb)3]
_chemical_formula_sum '[Li4 Hg12 Pb12]'
_cell_volume [753.0119]
_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  0.0022  0.5000  0.2594  1.0
  Hg  Hg1  8  0.2497  0.2692  0.2408  1.0
  Hg  Hg2  4  0.1077  0.0000  0.1086  1.0
  Pb  Pb3  4  0.0000  0.3315  0.0000  1.0
  Pb  Pb4  4  0.0000  0.3316  0.5000  1.0
  Pb  Pb5  4  0.0350  0.0000  0.3686  1.0
]