data_[Tl8Si8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0664]
_cell_length_b [9.5569]
_cell_length_c [6.9031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlSiAu3]
_chemical_formula_sum '[Tl8 Si8 Au24]'
_cell_volume [827.7309]
_cell_formula_units_Z [8]
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  0.0000  0.0041  0.2500  1.0
  Tl  Tl1  4  0.0000  0.3360  0.2500  1.0
  Si  Si2  8  0.0980  0.3338  0.8256  1.0
  Au  Au3  8  0.1663  0.1362  0.0652  1.0
  Au  Au4  8  0.1729  0.4742  0.5750  1.0
  Au  Au5  8  0.1935  0.1730  0.6336  1.0
]