data_[Tl24Hg4Au8]
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 [Immm]
_cell_length_a [9.0569]
_cell_length_b [9.6926]
_cell_length_c [11.5772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tl6HgAu2]
_chemical_formula_sum '[Tl24 Hg4 Au8]'
_cell_volume [1016.3010]
_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
[
  Tl  Tl0  8  0.0000  0.2941  0.3239  1
  Tl  Tl1  8  0.1975  0.0000  0.2481  1
  Tl  Tl2  8  0.1986  0.2898  0.0000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Au  Au5  4  0.0000  0.5000  0.1287  1
  Au  Au6  4  0.1592  0.5000  0.5000  1
]