data_[Na2Tl6Hg12]
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 [11.7994]
_cell_length_b [4.4283]
_cell_length_c [13.0455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na(TlHg2)3]
_chemical_formula_sum '[Na2 Tl6 Hg12]'
_cell_volume [614.3631]
_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  0.2428  0.2500  0.9719  1.0
  Tl  Tl1  2  0.1033  0.7500  0.0859  1.0
  Tl  Tl2  2  0.1725  0.2500  0.5973  1.0
  Tl  Tl3  2  0.4872  0.7500  0.7162  1.0
  Hg  Hg4  2  0.0330  0.7500  0.7967  1.0
  Hg  Hg5  2  0.1041  0.7500  0.3875  1.0
  Hg  Hg6  2  0.2489  0.2500  0.2668  1.0
  Hg  Hg7  2  0.2895  0.7500  0.8077  1.0
  Hg  Hg8  2  0.4033  0.2500  0.5201  1.0
  Hg  Hg9  2  0.4741  0.7500  0.0840  1.0
]