data_[Li2Tl4Hg2]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7725]
_cell_length_b [3.7379]
_cell_length_c [5.1467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTl2Hg]
_chemical_formula_sum '[Li2 Tl4 Hg2]'
_cell_volume [206.9781]
_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  0.2358  0.0000  0.7491  1.0
  Tl  Tl1  2  0.2545  0.5000  0.2599  1.0
  Tl  Tl2  2  0.4744  0.5000  0.9667  1.0
  Hg  Hg3  2  0.0354  0.5000  0.5244  1.0
]