data_[Pu2Co2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.3020]
_cell_length_b [6.9979]
_cell_length_c [4.9868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PuCoO3]
_chemical_formula_sum '[Pu2 Co2 O6]'
_cell_volume [112.2411]
_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
[
  Pu  Pu0  2  0.2859  0.2500  0.5037  1
  Co  Co1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.3169  0.5584  0.7163  1
  O  O3  2  0.1027  0.7500  0.1688  1
]