data_[Na8Tl6Hg10]
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 [11.1314]
_cell_length_b [5.6979]
_cell_length_c [11.5176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Tl3Hg5]
_chemical_formula_sum '[Na8 Tl6 Hg10]'
_cell_volume [714.2665]
_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  0.1384  0.0000  0.9623  1.0
  Na  Na1  4  0.2351  0.5000  0.3682  1.0
  Tl  Tl2  4  0.1264  0.5000  0.7769  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  4  0.0906  0.0000  0.2548  1.0
  Hg  Hg5  4  0.1100  0.5000  0.1030  1.0
  Hg  Hg6  2  0.0000  0.0000  0.5000  1.0
]