data_[Pu12In4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6119]
_cell_length_b [9.7109]
_cell_length_c [6.7175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pu6In2O]
_chemical_formula_sum '[Pu12 In4 O2]'
_cell_volume [431.2803]
_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  0.0000  0.2436  0.0000  1
  Pu  Pu1  2  0.1624  0.0000  0.2094  1
  Pu  Pu2  2  0.2229  0.0000  0.7205  1
  Pu  Pu3  2  0.2540  0.5000  0.7543  1
  Pu  Pu4  2  0.2599  0.5000  0.2549  1
  Pu  Pu5  2  0.5000  0.2347  0.5000  1
  In  In6  2  0.0000  0.2576  0.5000  1
  In  In7  2  0.5000  0.2303  0.0000  1
  O  O8  1  0.0000  0.5000  0.0000  1
  O  O9  1  0.5000  0.0000  0.5000  1
]