data_[Li24Tl10Hg4]
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 [C2/m]
_cell_length_a [13.2578]
_cell_length_b [7.7789]
_cell_length_c [7.3842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li12Tl5Hg2]
_chemical_formula_sum '[Li24 Tl10 Hg4]'
_cell_volume [761.0204]
_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  8  0.1282  0.2903  0.6714  1.0
  Li  Li1  8  0.1478  0.1838  0.2506  1.0
  Li  Li2  4  0.0444  0.5000  0.3100  1.0
  Li  Li3  4  0.0835  0.0000  0.8810  1.0
  Tl  Tl4  4  0.2110  0.5000  0.9922  1.0
  Tl  Tl5  4  0.2442  0.5000  0.4324  1.0
  Tl  Tl6  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg7  4  0.0000  0.2980  0.0000  1.0
]