data_[Tl4Cu4Pd4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6081]
_cell_length_b [11.1685]
_cell_length_c [9.6999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6267]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCuPdCl5]
_chemical_formula_sum '[Tl4 Cu4 Pd4 Cl20]'
_cell_volume [847.7194]
_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  4  0.0000  0.3315  0.7500  1
  Cu  Cu1  4  0.0000  0.3015  0.2500  1
  Pd  Pd2  4  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.0887  0.2017  0.0885  1
  Cl  Cl4  8  0.2018  0.4293  0.4153  1
  Cl  Cl5  4  0.0000  0.0507  0.7500  1
]