data_[Na4Tl4Hg4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6227]
_cell_length_b [4.8602]
_cell_length_c [11.3334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTlHgTe2]
_chemical_formula_sum '[Na4 Tl4 Hg4 Te8]'
_cell_volume [736.7929]
_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  0.1352  0.5000  0.8813  1.0
  Tl  Tl1  4  0.2271  0.0000  0.6576  1.0
  Hg  Hg2  4  0.0516  0.0000  0.2088  1.0
  Te  Te3  4  0.0906  0.5000  0.3805  1.0
  Te  Te4  4  0.1565  0.0000  0.0702  1.0
]