data_[Tl12Pd4Pt4]
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 [C2/m]
_cell_length_a [18.6904]
_cell_length_b [3.5507]
_cell_length_c [7.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3PdPt]
_chemical_formula_sum '[Tl12 Pd4 Pt4]'
_cell_volume [489.6431]
_cell_formula_units_Z [4]
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  4  0.0598  0.5000  0.3363  1.0
  Tl  Tl1  4  0.1274  0.5000  0.9381  1.0
  Tl  Tl2  4  0.2146  0.0000  0.6512  1.0
  Pd  Pd3  4  0.1629  0.0000  0.2386  1.0
  Pt  Pt4  4  0.0640  0.0000  0.6472  1.0
]