data_[Na14Tl2Hg10]
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 [6.2130]
_cell_length_b [11.0546]
_cell_length_c [10.9576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na7TlHg5]
_chemical_formula_sum '[Na14 Tl2 Hg10]'
_cell_volume [752.5909]
_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  0.3026  0.0194  1.0
  Na  Na1  4  0.0000  0.3436  0.5345  1.0
  Na  Na2  2  0.0000  0.0000  0.2247  1.0
  Na  Na3  2  0.0000  0.0000  0.5899  1.0
  Na  Na4  2  0.0000  0.5000  0.2675  1.0
  Tl  Tl5  2  0.0000  0.0000  0.9142  1.0
  Hg  Hg6  8  0.2496  0.2570  0.2725  1.0
  Hg  Hg7  2  0.0000  0.5000  0.8056  1.0
]