# generated using pymatgen
data_PuB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04892477
_cell_length_b   7.12777817
_cell_length_c   7.12777713
_cell_angle_alpha   90.15297153
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuB4
_chemical_formula_sum   'Pu4 B16'
_cell_volume   205.70575724
_cell_formula_units_Z   4
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  0.68706226  0.18706226  1.0
  Pu  Pu1  1  0.00000000  0.81423203  0.68576797  1.0
  Pu  Pu2  1  0.00000000  0.18576797  0.31423203  1.0
  Pu  Pu3  1  0.00000000  0.31293774  0.81293774  1.0
  B  B4  1  0.50000000  0.46185858  0.32351041  1.0
  B  B5  1  0.50000000  0.53814142  0.67648959  1.0
  B  B6  1  0.50000000  0.32374212  0.53831336  1.0
  B  B7  1  0.50000000  0.67625788  0.46168664  1.0
  B  B8  1  0.20187167  -0.00000000  0.00000000  1.0
  B  B9  1  0.79812833  0.50000000  0.50000000  1.0
  B  B10  1  0.79812833  -0.00000000  0.00000000  1.0
  B  B11  1  0.20187167  0.50000000  0.50000000  1.0
  B  B12  1  0.50000000  0.08822272  0.58822272  1.0
  B  B13  1  0.50000000  0.41253258  0.08746742  1.0
  B  B14  1  0.50000000  0.58746742  0.91253258  1.0
  B  B15  1  0.50000000  0.91177728  0.41177728  1.0
  B  B16  1  0.50000000  0.17648959  0.03814142  1.0
  B  B17  1  0.50000000  0.96168664  0.17625788  1.0
  B  B18  1  0.50000000  0.03831336  0.82374212  1.0
  B  B19  1  0.50000000  0.82351041  0.96185858  1.0