data_[Sm12Pu4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.6981]
_cell_length_b [10.9631]
_cell_length_c [7.8385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3PuO7]
_chemical_formula_sum '[Sm12 Pu4 O28]'
_cell_volume [661.5251]
_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
[
  Sm  Sm0  8  0.2322  0.2343  0.7500  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Pu  Pu2  4  0.0000  0.0000  0.0000  1
  O  O3  16  0.2063  0.1242  0.0292  1
  O  O4  4  0.0000  0.0872  0.7500  1
  O  O5  4  0.0000  0.3661  0.7500  1
  O  O6  4  0.0000  0.3686  0.2500  1
]