data_[Li1Pu2Co1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.4571]
_cell_length_b [5.4571]
_cell_length_c [5.8644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [LiPu2CoO8]
_chemical_formula_sum '[Li1 Pu2 Co1 O8]'
_cell_volume [151.2458]
_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
[
  Li  Li0  1  0.0000  0.0000  0.5000  1
  Pu  Pu1  2  0.3333  0.6667  0.8889  1
  Co  Co2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.0754  0.3384  0.1612  1
  O  O4  2  0.3333  0.6667  0.5759  1
]