data_[Tl4Cu8Pd4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6117]
_cell_length_b [11.9605]
_cell_length_c [7.6549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCu2PdBr6]
_chemical_formula_sum '[Tl4 Cu8 Pd4 Br24]'
_cell_volume [1254.2506]
_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  0.0588  0.2500  1.0
  Cu  Cu1  8  0.2189  0.4055  0.1657  1.0
  Pd  Pd2  4  0.0000  0.2020  0.7500  1.0
  Br  Br3  8  0.1220  0.2151  0.0718  1.0
  Br  Br4  8  0.1368  0.1887  0.6250  1.0
  Br  Br5  8  0.1531  0.4845  0.3956  1.0
]