data_[Ce1Sm2Pu1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [P-1]
_cell_length_a [3.8717]
_cell_length_b [5.4866]
_cell_length_c [7.6989]
_cell_angle_alpha [87.0523]
_cell_angle_beta [89.6984]
_cell_angle_gamma [86.7112]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeSm2PuO8]
_chemical_formula_sum '[Ce1 Sm2 Pu1 O8]'
_cell_volume [163.0560]
_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
[
  Ce  Ce0  1  0.0000  0.0000  0.5000  1
  Sm  Sm1  2  0.4994  0.4922  0.2511  1
  Pu  Pu2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.0216  0.2480  0.2460  1
  O  O4  2  0.0271  0.2220  0.7815  1
  O  O5  2  0.4638  0.7745  0.9905  1
  O  O6  2  0.4859  0.7562  0.4866  1
]