# generated using pymatgen
data_PuBN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27449073
_cell_length_b   6.27449105
_cell_length_c   3.34213435
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.28287667
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuBN
_chemical_formula_sum   'Pu2 B2 N2'
_cell_volume   73.03763005
_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  0.85863198  0.14136802  0.75000000  1.0
  Pu  Pu1  1  0.14136802  0.85863198  0.25000000  1.0
  B  B2  1  0.53463960  0.46536040  0.75000000  1.0
  B  B3  1  0.46536040  0.53463960  0.25000000  1.0
  N  N4  1  0.65941912  0.34058088  0.75000000  1.0
  N  N5  1  0.34058088  0.65941912  0.25000000  1.0