data_[Na6Tl1Hg6]
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 [P6/mmm]
_cell_length_a [6.1793]
_cell_length_b [6.1793]
_cell_length_c [10.9643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Na6TlHg6]
_chemical_formula_sum '[Na6 Tl1 Hg6]'
_cell_volume [362.5670]
_cell_formula_units_Z [1]
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  0.0000  0.3314  1
  Na  Na1  2  0.3333  0.6667  0.0000  1
  Na  Na2  2  0.3333  0.6667  0.5000  1
  Tl  Tl3  1  0.0000  0.0000  0.0000  1
  Hg  Hg4  6  0.0000  0.5000  0.2457  1
]