data_[Li24Tl4Hg2]
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 [P4/nbm]
_cell_length_a [5.5035]
_cell_length_b [5.5035]
_cell_length_c [20.6353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Li12Tl2Hg]
_chemical_formula_sum '[Li24 Tl4 Hg2]'
_cell_volume [625.0155]
_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  0.1800  0.3200  0.4395  1
  Li  Li1  8  0.2499  0.2501  0.9044  1
  Li  Li2  4  0.0000  0.0000  0.2082  1
  Li  Li3  4  0.0000  0.0000  0.3383  1
  Tl  Tl4  4  0.0000  0.5000  0.2838  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]