data_[K6Pd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6700]
_cell_length_b [8.3998]
_cell_length_c [13.0977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3PdBr6]
_chemical_formula_sum '[K6 Pd2 Br12]'
_cell_volume [703.4580]
_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  4  0.2887  0.5809  0.2552  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0946  0.5519  0.7144  1.0
  Br  Br4  4  0.2443  0.2224  0.5767  1.0
  Br  Br5  4  0.3109  0.6609  0.5415  1.0
]