data_[Na2Tl6Hg8]
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 [23.3681]
_cell_length_b [5.2830]
_cell_length_c [3.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl3Hg4]
_chemical_formula_sum '[Na2 Tl6 Hg8]'
_cell_volume [467.6514]
_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  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  4  0.1318  0.0000  0.1056  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  4  0.1053  0.5000  0.5837  1.0
  Hg  Hg4  4  0.2340  0.5000  0.7311  1.0
]