data_[Tl2Pd8Pt4]
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 [P1]
_cell_length_a [5.7274]
_cell_length_b [6.3933]
_cell_length_c [6.9934]
_cell_angle_alpha [68.8035]
_cell_angle_beta [89.9708]
_cell_angle_gamma [76.1371]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl(Pd2Pt)2]
_chemical_formula_sum '[Tl2 Pd8 Pt4]'
_cell_volume [230.7464]
_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  1  0.0456  0.0185  0.8441  1.0
  Tl  Tl1  1  0.2083  0.4836  0.6949  1.0
  Pd  Pd2  1  0.1254  0.7459  0.2685  1.0
  Pd  Pd3  1  0.2672  0.1757  0.1273  1.0
  Pd  Pd4  1  0.3438  0.9092  0.5429  1.0
  Pd  Pd5  1  0.4168  0.6013  0.9876  1.0
  Pd  Pd6  1  0.5463  0.0334  0.8420  1.0
  Pd  Pd7  1  0.7060  0.4676  0.6931  1.0
  Pd  Pd8  1  0.7637  0.1703  0.1288  1.0
  Pd  Pd9  1  0.8334  0.8991  0.5489  1.0
  Pt  Pt10  1  0.4877  0.3271  0.4093  1.0
  Pt  Pt11  1  0.6251  0.7489  0.2675  1.0
  Pt  Pt12  1  0.9009  0.5942  0.9899  1.0
  Pt  Pt13  1  0.9799  0.3252  0.4051  1.0
]