data_[Pu3Be3Cr6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1471]
_cell_length_b [5.1471]
_cell_length_c [14.5009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PuBeCr2O6]
_chemical_formula_sum '[Pu3 Be3 Cr6 O18]'
_cell_volume [332.6975]
_cell_formula_units_Z [3]
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
[
  Pu  Pu0  3  0.0000  0.0000  0.8142  1
  Be  Be1  3  0.0000  0.0000  0.2673  1
  Cr  Cr2  3  0.0000  0.0000  0.0196  1
  Cr  Cr3  3  0.0000  0.0000  0.5150  1
  O  O4  9  0.0216  0.3386  0.9232  1
  O  O5  9  0.0526  0.7075  0.0920  1
]