# generated using pymatgen
data_PuPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17105261
_cell_length_b   6.17105261
_cell_length_c   6.17105261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuPIr
_chemical_formula_sum   'Pu4 P4 Ir4'
_cell_volume   235.00534870
_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  0.40879784  0.90879784  0.59120216  1.0
  Pu  Pu1  1  0.90879784  0.59120216  0.40879784  1.0
  Pu  Pu2  1  0.59120216  0.40879784  0.90879784  1.0
  Pu  Pu3  1  0.09120216  0.09120216  0.09120216  1.0
  P  P4  1  0.68220347  0.18220347  0.31779653  1.0
  P  P5  1  0.18220347  0.31779653  0.68220347  1.0
  P  P6  1  0.31779653  0.68220347  0.18220347  1.0
  P  P7  1  0.81779653  0.81779653  0.81779653  1.0
  Ir  Ir8  1  0.07298877  0.57298877  0.92701123  1.0
  Ir  Ir9  1  0.57298877  0.92701123  0.07298877  1.0
  Ir  Ir10  1  0.92701123  0.07298877  0.57298877  1.0
  Ir  Ir11  1  0.42701123  0.42701123  0.42701123  1.0