data_[Tl12Ga6Si6Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6612]
_cell_length_b [6.6612]
_cell_length_c [35.5908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl2GaSiAu6]
_chemical_formula_sum '[Tl12 Ga6 Si6 Au36]'
_cell_volume [1367.6270]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1073  1.0
  Tl  Tl1  6  0.0000  0.0000  0.2800  1.0
  Ga  Ga2  6  0.0000  0.0000  0.4247  1.0
  Si  Si3  3  -0.0000  -0.0000  0.5000  1.0
  Si  Si4  3  0.0000  0.0000  0.0000  1.0
  Au  Au5  18  0.0455  0.5228  0.3013  1.0
  Au  Au6  18  0.0535  0.5267  0.8652  1.0
]