data_[Na16Tl2Hg4]
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 [17.1136]
_cell_length_b [5.2479]
_cell_length_c [7.9721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8TlHg2]
_chemical_formula_sum '[Na16 Tl2 Hg4]'
_cell_volume [659.4265]
_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  4  0.0324  0.0000  0.7487  1
  Na  Na1  4  0.1151  0.5000  0.4472  1
  Na  Na2  4  0.1624  0.0000  0.2237  1
  Na  Na3  4  0.1727  0.5000  0.9151  1
  Tl  Tl4  2  0.0000  0.5000  0.0000  1
  Hg  Hg5  4  0.2039  0.0000  0.6668  1
]