data_[Tl12Ga8Au16]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7612]
_cell_length_b [9.9439]
_cell_length_c [6.1445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(GaAu2)2]
_chemical_formula_sum '[Tl12 Ga8 Au16]'
_cell_volume [838.2956]
_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  0.1021  0.1053  0.8793  1
  Tl  Tl1  4  0.0000  0.4805  0.2500  1
  Ga  Ga2  8  0.2174  0.3736  0.5855  1
  Au  Au3  8  0.0967  0.2042  0.3599  1
  Au  Au4  8  0.1812  0.3739  0.9991  1
]