data_[Li10Mg4Tl2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.6213]
_cell_length_b [9.6213]
_cell_length_c [4.4616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li5Mg2TlHg2]
_chemical_formula_sum '[Li10 Mg4 Tl2 Hg4]'
_cell_volume [412.9996]
_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  0.0763  0.1998  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  4  0.1714  0.6714  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.1256  0.3744  0.0000  1.0
]