# generated using pymatgen
data_PuAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24366969
_cell_length_b   5.24366969
_cell_length_c   8.54590900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.39415891
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuAlFe
_chemical_formula_sum   'Pu4 Al4 Fe4'
_cell_volume   208.62892995
_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  0.66099300  0.33900700  0.29433300  1.0
  Pu  Pu1  1  0.33653400  0.66346600  0.17113200  1.0
  Pu  Pu2  1  0.33653400  0.66346600  0.82886800  1.0
  Pu  Pu3  1  0.66099300  0.33900700  0.70566700  1.0
  Al  Al4  1  0.00562400  0.99437600  0.24449500  1.0
  Al  Al5  1  0.00562400  0.99437600  0.75550500  1.0
  Al  Al6  1  0.65022300  0.83887900  0.50000000  1.0
  Al  Al7  1  0.16112100  0.34977700  0.50000000  1.0
  Fe  Fe8  1  0.15810000  0.84190000  0.50000000  1.0
  Fe  Fe9  1  0.33540400  0.15434900  0.00000000  1.0
  Fe  Fe10  1  0.84565100  0.66459600  0.00000000  1.0
  Fe  Fe11  1  0.84096600  0.15903400  0.00000000  1.0