data_[Pu3Be51V3]
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
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4848]
_cell_length_b [7.4848]
_cell_length_c [10.9520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PuBe17V]
_chemical_formula_sum '[Pu3 Be51 V3]'
_cell_volume [531.3526]
_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  0.6612  1
  Be  Be1  18  0.0049  0.2916  1.0000  1
  Be  Be2  9  0.0050  0.5025  0.8435  1
  Be  Be3  9  0.0059  0.5029  0.1552  1
  Be  Be4  9  0.1675  0.3350  0.8345  1
  Be  Be5  3  0.0000  0.0000  0.1012  1
  Be  Be6  3  0.0000  0.0000  0.9074  1
  V  V7  3  0.0000  0.0000  0.3306  1
]