data_[Li2Tl8Hg10]
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 [I4]
_cell_length_a [9.8412]
_cell_length_b [9.8412]
_cell_length_c [5.8962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [LiTl4Hg5]
_chemical_formula_sum '[Li2 Tl8 Hg10]'
_cell_volume [571.0445]
_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  0.8144  1.0
  Tl  Tl1  8  0.0380  0.6749  0.5446  1.0
  Hg  Hg2  8  0.1394  0.7857  0.0331  1.0
  Hg  Hg3  2  0.0000  0.0000  0.3644  1.0
]