data_[Tl16Hg4Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8076]
_cell_length_b [11.0662]
_cell_length_c [5.0844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8Hg2Au3]
_chemical_formula_sum '[Tl16 Hg4 Au6]'
_cell_volume [759.0510]
_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
[
  Tl  Tl0  8  0.1309  0.2333  0.5624  1
  Tl  Tl1  4  0.0777  0.5000  0.8032  1
  Tl  Tl2  4  0.1280  0.0000  0.0617  1
  Hg  Hg3  4  0.2172  0.5000  0.3604  1
  Au  Au4  4  0.0000  0.2529  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.5000  1
]