data_[Na8Tl8Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.5853]
_cell_length_b [3.6173]
_cell_length_c [17.0274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na4Tl4Hg3]
_chemical_formula_sum '[Na8 Tl8 Hg6]'
_cell_volume [651.9838]
_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
[
  Na  Na0  4  0.2567  0.0000  0.7459  1.0
  Na  Na1  2  0.0000  0.0000  0.9376  1.0
  Na  Na2  2  0.5000  0.0000  0.9194  1.0
  Tl  Tl3  4  0.2516  0.0000  0.0665  1.0
  Tl  Tl4  2  0.0000  0.0000  0.6164  1.0
  Tl  Tl5  2  0.5000  0.0000  0.6171  1.0
  Hg  Hg6  4  0.2531  0.0000  0.4000  1.0
  Hg  Hg7  2  0.0000  0.0000  0.2834  1.0
]