data_[K1Pu1Pb2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0666]
_cell_length_b [6.3335]
_cell_length_c [6.4350]
_cell_angle_alpha [63.8565]
_cell_angle_beta [63.5897]
_cell_angle_gamma [61.6766]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KPu(PbO3)2]
_chemical_formula_sum '[K1 Pu1 Pb2 O6]'
_cell_volume [186.4889]
_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
[
  K  K0  1  0.1921  0.4195  0.1933  1
  Pu  Pu1  1  0.6830  0.9669  0.6717  1
  Pb  Pb2  1  0.0015  0.0902  0.9230  1
  Pb  Pb3  1  0.4421  0.6136  0.5097  1
  O  O4  1  0.0032  0.7237  0.5085  1
  O  O5  1  0.3568  0.2447  0.8127  1
  O  O6  1  0.4016  0.7762  0.7926  1
  O  O7  1  0.6031  0.1472  0.3720  1
  O  O8  1  0.7687  0.8002  0.9721  1
  O  O9  1  0.8864  0.2026  0.5828  1
]