data_[Tl8In8Au32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.2490]
_cell_length_b [8.0718]
_cell_length_c [17.1149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [TlInAu4]
_chemical_formula_sum '[Tl8 In8 Au32]'
_cell_volume [1001.4328]
_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  8  0.0000  0.2141  0.0000  1.0
  In  In1  8  0.2500  0.0000  0.2500  1.0
  Au  Au2  16  0.0000  0.2314  0.1686  1.0
  Au  Au3  16  0.2127  0.0000  0.4133  1.0
]