data_[Pu1V4Ru5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  V  1.6300  1.3500  0.7775
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9910]
_cell_length_b [2.9910]
_cell_length_c [16.5036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PuV4Ru5]
_chemical_formula_sum '[Pu1 V4 Ru5]'
_cell_volume [147.6464]
_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
[
  Pu  Pu0  1  0.0000  0.0000  0.0000  1
  V  V1  2  0.0000  0.0000  0.2173  1
  V  V2  2  0.0000  0.0000  0.4063  1
  Ru  Ru3  2  0.5000  0.5000  0.1355  1
  Ru  Ru4  2  0.5000  0.5000  0.3177  1
  Ru  Ru5  1  0.5000  0.5000  0.5000  1
]