data_[Er6Pu2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [5.8816]
_cell_length_b [10.3823]
_cell_length_c [6.6915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Er3PuO8]
_chemical_formula_sum '[Er6 Pu2 O16]'
_cell_volume [408.6144]
_cell_formula_units_Z [2]
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
[
  Er  Er0  4  0.2500  0.2500  0.2269  1
  Er  Er1  2  0.0000  0.5000  0.0000  1
  Pu  Pu2  2  0.0000  0.5000  0.5000  1
  O  O3  8  0.2263  0.4719  0.2704  1
  O  O4  4  0.0000  0.2883  0.0000  1
  O  O5  4  0.0000  0.3096  0.5000  1
]