data_[Sr1Pu1In2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pu  1.2800  1.7500  0.9675
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0531]
_cell_length_b [7.0159]
_cell_length_c [5.0656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrPuIn2O8]
_chemical_formula_sum '[Sr1 Pu1 In2 O8]'
_cell_volume [179.5866]
_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
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  In  In2  2  0.5000  0.2377  0.5000  1
  O  O3  4  0.1951  0.2042  0.1808  1
  O  O4  2  0.2930  0.0000  0.6948  1
  O  O5  2  0.3185  0.5000  0.6419  1
]