data_[Tl1Cu2Pd1Cl8]
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 [P-1]
_cell_length_a [6.1224]
_cell_length_b [7.0103]
_cell_length_c [7.7005]
_cell_angle_alpha [98.7545]
_cell_angle_beta [95.6046]
_cell_angle_gamma [93.6847]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2PdCl8]
_chemical_formula_sum '[Tl1 Cu2 Pd1 Cl8]'
_cell_volume [324.0389]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  2  0.4917  0.3900  0.8109  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1953  0.8549  0.7748  1.0
  Cl  Cl4  2  0.2099  0.8481  0.2095  1.0
  Cl  Cl5  2  0.3013  0.3479  0.0462  1.0
  Cl  Cl6  2  0.3085  0.2961  0.5457  1.0
]