data_[Tl4Hg10Au8]
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 [13.0082]
_cell_length_b [5.9464]
_cell_length_c [9.5242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Hg5Au4]
_chemical_formula_sum '[Tl4 Hg10 Au8]'
_cell_volume [544.4094]
_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  4  0.1950  0.5000  0.7395  1.0
  Hg  Hg1  8  0.0020  0.2463  0.1729  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Au  Au3  4  0.2307  0.5000  0.1440  1.0
  Au  Au4  4  0.2419  0.0000  0.5128  1.0
]