# generated using pymatgen
data_PuBIrN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79040240
_cell_length_b   3.79040240
_cell_length_c   7.45190325
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuBIrN
_chemical_formula_sum   'Pu2 B2 Ir2 N2'
_cell_volume   107.06261420
_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  0.50000000  0.00000000  0.16479396  1.0
  Pu  Pu1  1  0.00000000  0.50000000  0.83520704  1.0
  B  B2  1  0.00000000  0.50000000  0.35069420  1.0
  B  B3  1  0.50000000  0.00000000  0.64930580  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir5  1  0.50000000  0.50000000  0.50000000  1.0
  N  N6  1  0.00000000  0.50000000  0.14887667  1.0
  N  N7  1  0.50000000  0.00000000  0.85112333  1.0