data_[Na4Tl8Hg8]
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 [C2/m]
_cell_length_a [12.3419]
_cell_length_b [5.5288]
_cell_length_c [9.0075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(TlHg)2]
_chemical_formula_sum '[Na4 Tl8 Hg8]'
_cell_volume [573.9527]
_cell_formula_units_Z [4]
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  0.2347  0.5000  0.2676  1.0
  Tl  Tl1  4  0.0623  0.0000  0.3558  1.0
  Tl  Tl2  4  0.1498  0.0000  0.0359  1.0
  Hg  Hg3  4  0.0541  0.5000  0.8584  1.0
  Hg  Hg4  4  0.1412  0.5000  0.5672  1.0
]