data_[Na16Tl10Hg2]
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 [I-4]
_cell_length_a [9.4759]
_cell_length_b [9.4759]
_cell_length_c [9.5943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Na8Tl5Hg]
_chemical_formula_sum '[Na16 Tl10 Hg2]'
_cell_volume [861.4928]
_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  0.0604  0.6674  0.5756  1.0
  Na  Na1  8  0.1169  0.7972  0.2441  1.0
  Tl  Tl2  8  0.0987  0.8199  0.9016  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.2500  1.0
]