data_[Tl36Pt3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2577]
_cell_length_b [12.2577]
_cell_length_c [11.3643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl12PtAu6]
_chemical_formula_sum '[Tl36 Pt3 Au18]'
_cell_volume [1478.7419]
_cell_formula_units_Z [3]
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  18  0.0457  0.5552  0.6316  1
  Tl  Tl1  18  0.0862  0.1839  0.2604  1
  Pt  Pt2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0072  0.7685  0.5080  1
]