data_[K2Tl2Pd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.8624]
_cell_length_b [11.4687]
_cell_length_c [7.3539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KTlPdBr6]
_chemical_formula_sum '[K2 Tl2 Pd2 Br12]'
_cell_volume [654.8978]
_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
[
  K  K0  2  0.0000  0.9661  0.5000  1.0
  Tl  Tl1  2  0.0000  0.3129  0.0000  1.0
  Pd  Pd2  2  0.0000  0.6695  0.0000  1.0
  Br  Br3  4  0.1301  0.5163  0.2102  1.0
  Br  Br4  4  0.1687  0.1889  0.2769  1.0
  Br  Br5  4  0.1796  0.8207  0.1779  1.0
]