data_[Ba2Pu2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pu  1.2800  1.7500  0.9675
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4714]
_cell_length_b [5.4385]
_cell_length_c [8.1476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPu(PO4)2]
_chemical_formula_sum '[Ba2 Pu2 P4 O16]'
_cell_volume [374.8059]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  P  P2  4  0.1270  0.5000  0.2692  1
  O  O3  8  0.0217  0.2666  0.2897  1
  O  O4  4  0.1939  0.5000  0.1002  1
  O  O5  4  0.2479  0.5000  0.4194  1
]