data_[La12Tl3Hg6Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5946]
_cell_length_b [5.5946]
_cell_length_c [27.4942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La4TlHg2Pb]
_chemical_formula_sum '[La12 Tl3 Hg6 Pb3]'
_cell_volume [745.2567]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1257  1
  La  La1  6  0.0000  0.0000  0.3761  1
  Tl  Tl2  3  0.0000  0.0000  0.0000  1
  Hg  Hg3  6  0.0000  0.0000  0.2547  1
  Pb  Pb4  3  -0.0000  -0.0000  0.5000  1
]