data_[Tl2Ag28Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.6780]
_cell_length_b [5.9246]
_cell_length_c [10.2719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TlAg14Au]
_chemical_formula_sum '[Tl2 Ag28 Au2]'
_cell_volume [588.9741]
_cell_formula_units_Z [2]
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  2  0.5000  0.0000  0.9598  1
  Ag  Ag1  8  0.2443  0.2476  0.3739  1
  Ag  Ag2  4  0.0000  0.2494  0.5414  1
  Ag  Ag3  4  0.2436  0.0000  0.1264  1
  Ag  Ag4  4  0.2490  0.0000  0.6248  1
  Ag  Ag5  4  0.5000  0.2491  0.2095  1
  Ag  Ag6  2  0.0000  0.0000  0.2912  1
  Ag  Ag7  2  0.0000  0.0000  0.7908  1
  Au  Au8  2  0.5000  0.0000  0.4586  1
]