data_[Na12Tl2Hg6]
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 [P2_1/m]
_cell_length_a [9.5946]
_cell_length_b [5.3383]
_cell_length_c [11.8218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6TlHg3]
_chemical_formula_sum '[Na12 Tl2 Hg6]'
_cell_volume [564.6319]
_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  0.0473  0.2500  0.8067  1.0
  Na  Na1  2  0.1380  0.2500  0.3289  1.0
  Na  Na2  2  0.2770  0.2500  0.6281  1.0
  Na  Na3  2  0.2934  0.7500  0.8173  1.0
  Na  Na4  2  0.3000  0.2500  0.0948  1.0
  Na  Na5  2  0.4624  0.7500  0.5760  1.0
  Tl  Tl6  2  0.3291  0.7500  0.2706  1.0
  Hg  Hg7  2  0.0779  0.7500  0.9736  1.0
  Hg  Hg8  2  0.0952  0.7500  0.5065  1.0
  Hg  Hg9  2  0.4771  0.2500  0.9077  1.0
]