data_[Ca1La2Pu1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  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 [4.2051]
_cell_length_b [7.6342]
_cell_length_c [5.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaLa2PuO8]
_chemical_formula_sum '[Ca1 La2 Pu1 O8]'
_cell_volume [177.0684]
_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
[
  Ca  Ca0  1  0.0000  0.5000  0.0000  1
  La  La1  2  0.5000  0.2550  0.5000  1
  Pu  Pu2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.0510  0.2043  0.7723  1
  O  O4  2  0.4220  0.0000  0.2096  1
  O  O5  2  0.4782  0.5000  0.2541  1
]