data_[Tl9Hg3Au24]
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 [R3m]
_cell_length_a [5.7919]
_cell_length_b [5.7919]
_cell_length_c [27.4131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tl3HgAu8]
_chemical_formula_sum '[Tl9 Hg3 Au24]'
_cell_volume [796.3945]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0048  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4969  1.0
  Tl  Tl2  3  0.0000  0.0000  0.6215  1.0
  Hg  Hg3  3  0.0000  0.0000  0.1282  1.0
  Au  Au4  9  0.1667  0.3335  0.8952  1.0
  Au  Au5  9  0.1671  0.3342  0.3961  1.0
  Au  Au6  3  0.0000  0.0000  0.3125  1.0
  Au  Au7  3  0.0000  0.0000  0.8122  1.0
]