data_[Na4Tl4Hg4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9184]
_cell_length_b [4.2411]
_cell_length_c [8.9664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTlHgS2]
_chemical_formula_sum '[Na4 Tl4 Hg4 S8]'
_cell_volume [587.8696]
_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  0.1562  0.5000  0.0257  1.0
  Tl  Tl1  4  0.2130  0.5000  0.6331  1.0
  Hg  Hg2  4  0.0040  0.0000  0.2539  1.0
  S  S3  4  0.0932  0.5000  0.2908  1.0
  S  S4  4  0.1572  0.0000  0.8258  1.0
]