# generated using pymatgen
data_PuThB8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19932874
_cell_length_b   7.18303311
_cell_length_c   4.08379888
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuThB8
_chemical_formula_sum   'Pu2 Th2 B16'
_cell_volume   211.18556000
_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  1  0.31457129  0.18679520  0.00000000  1.0
  Pu  Pu1  1  0.81457129  0.31320480  0.00000000  1.0
  Th  Th2  1  0.18461448  0.68462402  0.00000000  1.0
  Th  Th3  1  0.68461448  0.81537598  0.00000000  1.0
  B  B4  1  0.32474810  0.45726431  0.50000000  1.0
  B  B5  1  0.67554770  0.53505868  0.50000000  1.0
  B  B6  1  0.53905289  0.31960828  0.50000000  1.0
  B  B7  1  0.46176023  0.67086226  0.50000000  1.0
  B  B8  1  0.00089761  0.00605925  0.20192671  1.0
  B  B9  1  0.50089761  0.49394075  0.79807329  1.0
  B  B10  1  0.00089761  0.00605925  0.79807329  1.0
  B  B11  1  0.50089761  0.49394075  0.20192671  1.0
  B  B12  1  0.58773527  0.08627408  0.50000000  1.0
  B  B13  1  0.08773527  0.41372592  0.50000000  1.0
  B  B14  1  0.91017382  0.59013542  0.50000000  1.0
  B  B15  1  0.41017382  0.90986458  0.50000000  1.0
  B  B16  1  0.03905289  0.18039172  0.50000000  1.0
  B  B17  1  0.17554770  0.96494132  0.50000000  1.0
  B  B18  1  0.82474810  0.04273569  0.50000000  1.0
  B  B19  1  0.96176023  0.82913774  0.50000000  1.0