data_[Tl18Pd12Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.4138]
_cell_length_b [7.4138]
_cell_length_c [16.9053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Tl3Pd2Pt]
_chemical_formula_sum '[Tl18 Pd12 Pt6]'
_cell_volume [804.7099]
_cell_formula_units_Z [6]
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  0.0000  0.3317  0.2500  1
  Pd  Pd1  12  0.0000  0.0000  0.3338  1
  Pt  Pt2  6  0.0000  -0.0000  0.0000  1
]