data_[Li2Tl4Cd4Hg14]
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 [C2/m]
_cell_length_a [6.4134]
_cell_length_b [6.2000]
_cell_length_c [16.1284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTl2Cd2Hg7]
_chemical_formula_sum '[Li2 Tl4 Cd4 Hg14]'
_cell_volume [638.6785]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0877  0.0000  0.3333  1.0
  Cd  Cd2  4  0.0686  0.5000  0.2847  1.0
  Hg  Hg3  8  0.2139  0.2505  0.8561  1.0
  Hg  Hg4  4  0.2243  0.5000  0.4710  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]