data_[Tl2Ag4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0737]
_cell_length_b [12.1346]
_cell_length_c [7.6675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tl(AgPd4)2]
_chemical_formula_sum '[Tl2 Ag4 Pd16]'
_cell_volume [379.0229]
_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  2  0.0000  0.0000  0.3978  1
  Ag  Ag1  4  0.0000  0.3415  0.4447  1
  Pd  Pd2  4  0.0000  0.1596  0.6804  1
  Pd  Pd3  4  0.0000  0.1783  0.1845  1
  Pd  Pd4  4  0.0000  0.3329  0.9240  1
  Pd  Pd5  2  0.0000  0.0000  0.9525  1
  Pd  Pd6  2  0.0000  0.5000  0.1793  1
]