# generated using pymatgen
data_PuB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28126114
_cell_length_b   5.28125154
_cell_length_c   5.28125451
_cell_angle_alpha   59.99983803
_cell_angle_beta   59.99987457
_cell_angle_gamma   60.00032567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuB12
_chemical_formula_sum   'Pu1 B12'
_cell_volume   104.15898047
_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  -0.00000000  0.00000000  -0.00000000  1.0
  B  B1  1  0.16162605  0.49999978  0.49999918  1.0
  B  B2  1  0.16162822  0.49999644  0.83837428  1.0
  B  B3  1  0.16162684  0.83837461  0.49999738  1.0
  B  B4  1  0.49999952  0.16162552  0.83837611  1.0
  B  B5  1  0.49999743  0.16162727  0.50000223  1.0
  B  B6  1  0.83837316  0.16162639  0.50000262  1.0
  B  B7  1  0.50000048  0.83837448  0.16162389  1.0
  B  B8  1  0.83837178  0.50000356  0.16162572  1.0
  B  B9  1  0.49999807  0.50000298  0.16162475  1.0
  B  B10  1  0.83837395  0.50000022  0.50000082  1.0
  B  B11  1  0.50000257  0.83837273  0.49999777  1.0
  B  B12  1  0.50000193  0.49999702  0.83837525  1.0