# generated using pymatgen
data_Ce3PuB16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15991360
_cell_length_b   7.15991360
_cell_length_c   4.06378022
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.66893751
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3PuB16
_chemical_formula_sum   'Ce3 Pu1 B16'
_cell_volume   208.32362578
_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
  Ce  Ce0  1  0.68681074  0.81331133  0.00000000  1.0
  Ce  Ce1  1  0.31331133  0.18681074  0.00000000  1.0
  Ce  Ce2  1  0.81403376  0.31403376  0.00000000  1.0
  Pu  Pu3  1  0.18810245  0.68810245  0.00000000  1.0
  B  B4  1  0.32273258  0.46240240  0.50000000  1.0
  B  B5  1  0.67451069  0.53841097  0.50000000  1.0
  B  B6  1  0.53791248  0.32521528  0.50000000  1.0
  B  B7  1  0.45948831  0.67691417  0.50000000  1.0
  B  B8  1  0.00105039  0.99861130  0.20185754  1.0
  B  B9  1  0.49861130  0.50105039  0.79814246  1.0
  B  B10  1  0.00105039  0.99861130  0.79814246  1.0
  B  B11  1  0.49861130  0.50105039  0.20185754  1.0
  B  B12  1  0.58854867  0.08854867  0.50000000  1.0
  B  B13  1  0.08812486  0.41155523  0.50000000  1.0
  B  B14  1  0.91155523  0.58812486  0.50000000  1.0
  B  B15  1  0.41260170  0.91260170  0.50000000  1.0
  B  B16  1  0.03841097  0.17451069  0.50000000  1.0
  B  B17  1  0.17691417  0.95948831  0.50000000  1.0
  B  B18  1  0.82521528  0.03791248  0.50000000  1.0
  B  B19  1  0.96240240  0.82273258  0.50000000  1.0