data_[Tl12Pd16Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9078]
_cell_length_b [10.0217]
_cell_length_c [5.3615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(Pd2Au)2]
_chemical_formula_sum '[Tl12 Pd16 Au8]'
_cell_volume [690.7551]
_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  8  0.1563  0.1149  0.5614  1.0
  Tl  Tl1  4  0.0000  0.3867  0.7500  1.0
  Pd  Pd2  8  0.0562  0.1431  0.0260  1.0
  Pd  Pd3  8  0.1200  0.3734  0.3214  1.0
  Au  Au4  8  0.2187  0.3658  0.8719  1.0
]