# generated using pymatgen
data_PuTh3B16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22374657
_cell_length_b   7.22374657
_cell_length_c   4.10211174
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.44481082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuTh3B16
_chemical_formula_sum   'Pu1 Th3 B16'
_cell_volume   214.04845585
_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  0.81320854  0.31320854  0.00000000  1.0
  Th  Th1  1  0.18416473  0.68416473  0.00000000  1.0
  Th  Th2  1  0.68546242  0.81411460  0.00000000  1.0
  Th  Th3  1  0.31411460  0.18546242  0.00000000  1.0
  B  B4  1  0.32758643  0.46082562  0.50000000  1.0
  B  B5  1  0.67797686  0.53605487  0.50000000  1.0
  B  B6  1  0.54284128  0.32302341  0.50000000  1.0
  B  B7  1  0.46228212  0.67236287  0.50000000  1.0
  B  B8  1  0.99730978  0.00364929  0.20130743  1.0
  B  B9  1  0.50364929  0.49730978  0.79869257  1.0
  B  B10  1  0.99730978  0.00364929  0.79869257  1.0
  B  B11  1  0.50364929  0.49730978  0.20130743  1.0
  B  B12  1  0.58783446  0.08783446  0.50000000  1.0
  B  B13  1  0.09008590  0.41097926  0.50000000  1.0
  B  B14  1  0.91097926  0.59008590  0.50000000  1.0
  B  B15  1  0.40927649  0.90927649  0.50000000  1.0
  B  B16  1  0.03605487  0.17797686  0.50000000  1.0
  B  B17  1  0.17236287  0.96228212  0.50000000  1.0
  B  B18  1  0.82302341  0.04284128  0.50000000  1.0
  B  B19  1  0.96082562  0.82758643  0.50000000  1.0