data_[Na8Tl2Hg8]
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 [P4_2/n]
_cell_length_a [9.1383]
_cell_length_b [9.1383]
_cell_length_c [6.0094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Na4TlHg4]
_chemical_formula_sum '[Na8 Tl2 Hg8]'
_cell_volume [501.8342]
_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  8  0.0757  0.6730  0.1339  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.1020  0.7939  0.6204  1
]