data_[Pu4Mn4O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5361]
_cell_length_b [7.8059]
_cell_length_c [5.6994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Pu4Mn4O11]
_chemical_formula_sum '[Pu4 Mn4 O11]'
_cell_volume [246.2932]
_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
[
  Pu  Pu0  1  0.0084  0.5000  0.0450  1
  Pu  Pu1  1  0.4855  0.5000  0.5503  1
  Pu  Pu2  1  0.5179  0.0000  0.4444  1
  Pu  Pu3  1  0.9871  0.0000  0.9518  1
  Mn  Mn4  2  0.5018  0.2469  0.0002  1
  Mn  Mn5  2  0.9985  0.2555  0.5015  1
  O  O6  2  0.1913  0.2881  0.7920  1
  O  O7  2  0.2962  0.2857  0.3145  1
  O  O8  2  0.7206  0.1897  0.6967  1
  O  O9  2  0.8101  0.1865  0.2172  1
  O  O10  1  0.4010  0.0000  0.0261  1
  O  O11  1  0.5952  0.5000  0.9670  1
  O  O12  1  0.8879  0.5000  0.4516  1
]