data_[Tl12Sb8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9721]
_cell_length_b [9.0507]
_cell_length_c [7.9454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(SbAu2)2]
_chemical_formula_sum '[Tl12 Sb8 Au16]'
_cell_volume [953.8086]
_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  0.0611  0.1509  0.4590  1
  Tl  Tl1  4  0.0000  0.4778  0.7500  1
  Sb  Sb2  8  0.2059  0.3333  0.1660  1
  Au  Au3  8  0.1016  0.1688  0.8620  1
  Au  Au4  8  0.2180  0.3925  0.5384  1
]