data_[Li1Pu5Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9115]
_cell_length_b [8.6187]
_cell_length_c [8.9223]
_cell_angle_alpha [104.0296]
_cell_angle_beta [102.1790]
_cell_angle_gamma [89.9991]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiPu5Bi6]
_chemical_formula_sum '[Li1 Pu5 Bi6]'
_cell_volume [357.6530]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  2  0.3373  0.4237  0.6954  1
  Pu  Pu2  2  0.3446  0.9259  0.7003  1
  Pu  Pu3  1  0.0000  0.5000  0.0000  1
  Bi  Bi4  2  0.1640  0.3278  0.3153  1
  Bi  Bi5  2  0.1650  0.8291  0.3179  1
  Bi  Bi6  2  0.4997  0.7590  1.0000  1
]