data_[Sr1Sm2Pu1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P2/m]
_cell_length_a [4.1838]
_cell_length_b [7.6671]
_cell_length_c [5.4095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrSm2PuO8]
_chemical_formula_sum '[Sr1 Sm2 Pu1 O8]'
_cell_volume [172.4401]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1
  Sm  Sm1  2  0.5000  0.2476  0.5000  1
  Pu  Pu2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.0487  0.2028  0.7620  1
  O  O4  2  0.4270  0.0000  0.2185  1
  O  O5  2  0.4885  0.5000  0.7296  1
]