data_[Pu6Ti4]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [9.6262]
_cell_length_b [9.6262]
_cell_length_c [15.0000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Pu3Ti2]
_chemical_formula_sum '[Pu6 Ti4]'
_cell_volume [1203.7269]
_cell_formula_units_Z [2]
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  6  0.1841  0.8159  0.5000  1
  Ti  Ti1  3  0.0000  0.5000  0.5000  1
  Ti  Ti2  1  0.0000  0.0000  0.5000  1
]