data_[Tl2Cd4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5416]
_cell_length_b [4.1422]
_cell_length_c [6.3506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(CdPd4)2]
_chemical_formula_sum '[Tl2 Cd4 Pd16]'
_cell_volume [369.6114]
_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  0.5000  0.0000  1.0
  Cd  Cd1  4  0.2242  0.0000  0.6467  1.0
  Pd  Pd2  4  0.0419  0.0000  0.7225  1.0
  Pd  Pd3  4  0.0919  0.5000  0.4590  1.0
  Pd  Pd4  4  0.1397  0.0000  0.1845  1.0
  Pd  Pd5  4  0.1803  0.5000  0.9097  1.0
]