data_[Pu4Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1021]
_cell_length_b [10.9472]
_cell_length_c [5.1840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PuMoO4]
_chemical_formula_sum '[Pu4 Mo4 O16]'
_cell_volume [303.6068]
_cell_formula_units_Z [4]
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  0.0000  0.3638  0.2500  1
  Mo  Mo1  4  0.0000  0.0982  0.7500  1
  O  O2  8  0.1705  0.2188  0.6681  1
  O  O3  8  0.2398  0.0242  0.2259  1
]