data_[Pu6Ti1Pd5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2766]
_cell_length_b [6.6494]
_cell_length_c [8.1112]
_cell_angle_alpha [113.0864]
_cell_angle_beta [104.1453]
_cell_angle_gamma [90.6114]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pu6TiPd5]
_chemical_formula_sum '[Pu6 Ti1 Pd5]'
_cell_volume [252.0495]
_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  2  0.2405  0.4373  0.3587  1
  Pu  Pu1  2  0.2727  0.9137  0.3295  1
  Pu  Pu2  2  0.4933  0.7286  0.9683  1
  Ti  Ti3  1  0.0000  0.0000  0.0000  1
  Pd  Pd4  2  0.2180  0.8629  0.6788  1
  Pd  Pd5  2  0.2239  0.3053  0.6668  1
  Pd  Pd6  1  0.0000  0.5000  0.0000  1
]