data_[Na6Tl8Hg8]
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 [11.3208]
_cell_length_b [5.3317]
_cell_length_c [10.5506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3(TlHg)4]
_chemical_formula_sum '[Na6 Tl8 Hg8]'
_cell_volume [636.8221]
_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  0.3240  0.0000  0.3905  1.0
  Na  Na1  2  0.0000  0.0000  0.2598  1.0
  Tl  Tl2  4  0.2564  0.0000  0.0796  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5764  1.0
  Tl  Tl4  2  0.5000  0.0000  0.6467  1.0
  Hg  Hg5  4  0.2270  0.0000  0.7536  1.0
  Hg  Hg6  2  0.0000  0.0000  0.9258  1.0
  Hg  Hg7  2  0.5000  0.0000  0.9423  1.0
]