data_[Na4Tl16Hg4]
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/c]
_cell_length_a [6.7484]
_cell_length_b [19.8080]
_cell_length_c [5.4974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTl4Hg]
_chemical_formula_sum '[Na4 Tl16 Hg4]'
_cell_volume [731.9612]
_cell_formula_units_Z [4]
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  0.0000  0.3769  0.2500  1.0
  Tl  Tl1  8  0.2472  0.0413  0.2179  1.0
  Tl  Tl2  8  0.2478  0.7928  0.7480  1.0
  Hg  Hg3  4  0.0000  0.1287  0.7500  1.0
]