data_[La8Hg8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [11.8898]
_cell_length_b [4.8540]
_cell_length_c [11.6220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Hg2Pb]
_chemical_formula_sum '[La8 Hg8 Pb4]'
_cell_volume [607.7490]
_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
[
  La  La0  4  0.0117  0.0000  0.3338  1.0
  La  La1  4  0.1784  0.0000  0.0948  1.0
  Hg  Hg2  4  0.0469  0.5000  0.8917  1.0
  Hg  Hg3  4  0.1388  0.5000  0.5478  1.0
  Pb  Pb4  4  0.2176  0.5000  0.3163  1.0
]