data_[Na14Tl4Hg4]
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 [Imm2]
_cell_length_a [4.9878]
_cell_length_b [15.3674]
_cell_length_c [8.6263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na7(TlHg)2]
_chemical_formula_sum '[Na14 Tl4 Hg4]'
_cell_volume [661.2034]
_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  0.0000  0.1426  0.3249  1.0
  Na  Na1  4  0.0000  0.1603  0.8966  1.0
  Na  Na2  4  0.0000  0.3491  0.1239  1.0
  Na  Na3  2  0.0000  0.5000  0.4655  1.0
  Tl  Tl4  2  0.0000  0.0000  0.6323  1.0
  Tl  Tl5  2  0.0000  0.5000  0.8500  1.0
  Hg  Hg6  4  0.0000  0.2968  0.6077  1.0
]