data_[Li4Tl4Cd4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1630]
_cell_length_b [14.8037]
_cell_length_c [9.5846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiTlCdHg3]
_chemical_formula_sum '[Li4 Tl4 Cd4 Hg12]'
_cell_volume [590.6787]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1985  0.2500  1
  Cd  Cd2  4  0.0000  0.4752  0.7500  1
  Hg  Hg3  8  0.0000  0.3526  0.0057  1
  Hg  Hg4  4  0.0000  0.1230  0.7500  1
]