data_[Na2Tl6Hg14]
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 [9.4108]
_cell_length_b [11.6869]
_cell_length_c [6.4877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTl3Hg7]
_chemical_formula_sum '[Na2 Tl6 Hg14]'
_cell_volume [674.5387]
_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  0.5000  1
  Tl  Tl1  4  0.0000  0.2343  0.0000  1
  Tl  Tl2  2  0.0000  0.0000  0.5000  1
  Hg  Hg3  8  0.1693  0.2426  0.6609  1
  Hg  Hg4  4  0.1957  0.0000  0.1253  1
  Hg  Hg5  2  0.0000  0.5000  0.0000  1
]