data_[Tl18Pd36Pt3]
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-3]
_cell_length_a [12.1226]
_cell_length_b [12.1226]
_cell_length_c [8.3982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tl6Pd12Pt]
_chemical_formula_sum '[Tl18 Pd36 Pt3]'
_cell_volume [1068.8189]
_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  0.0458  0.1984  0.7468  1.0
  Pd  Pd1  18  0.0447  0.2436  0.0751  1.0
  Pd  Pd2  18  0.0645  0.2440  0.4242  1.0
  Pt  Pt3  3  0.0000  0.0000  0.0000  1.0
]