data_[Tl16Pd2Au4]
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/m]
_cell_length_a [18.0020]
_cell_length_b [4.9617]
_cell_length_c [6.8652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8PdAu2]
_chemical_formula_sum '[Tl16 Pd2 Au4]'
_cell_volume [587.0733]
_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  4  0.0252  0.0000  0.7880  1
  Tl  Tl1  4  0.0915  0.5000  0.4383  1
  Tl  Tl2  4  0.1591  0.5000  0.9677  1
  Tl  Tl3  4  0.2045  0.0000  0.3013  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.1826  0.0000  0.7164  1
]