data_[K6Ni2Pd6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1467]
_cell_length_b [6.2623]
_cell_length_c [7.0114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3NiPd3O8]
_chemical_formula_sum '[K6 Ni2 Pd6 O16]'
_cell_volume [419.3535]
_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  0.2500  0.2500  0.0000  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  4  0.2500  0.2500  0.5000  1.0
  Pd  Pd4  2  0.0000  0.5000  0.5000  1.0
  O  O5  8  0.0334  0.2545  0.3356  1.0
  O  O6  4  0.2264  0.0000  0.6710  1.0
  O  O7  4  0.2392  0.5000  0.6802  1.0
]