data_[Na2Tl8Hg14]
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 [13.4152]
_cell_length_b [6.4487]
_cell_length_c [9.9509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl4Hg7]
_chemical_formula_sum '[Na2 Tl8 Hg14]'
_cell_volume [739.1208]
_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  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0002  0.5000  0.6682  1.0
  Tl  Tl2  4  0.2416  0.0000  0.6637  1.0
  Hg  Hg3  4  0.0002  0.0000  0.6724  1.0
  Hg  Hg4  4  0.2439  0.0000  0.0018  1.0
  Hg  Hg5  4  0.2453  0.0000  0.3304  1.0
  Hg  Hg6  2  0.0000  0.5000  0.0000  1.0
]