data_[Pu6Pa2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6306]
_cell_length_b [6.0438]
_cell_length_c [6.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3PaO6]
_chemical_formula_sum '[Pu6 Pa2 O12]'
_cell_volume [319.5174]
_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  4  0.2499  0.0000  0.7137  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  2  0.0000  0.5000  0.5000  1
  O  O3  8  0.0899  0.2541  0.3468  1
  O  O4  4  0.2373  0.5000  0.8834  1
]