# generated using pymatgen
data_PuAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98872836
_cell_length_b   5.98872836
_cell_length_c   14.44057100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuAl3
_chemical_formula_sum   'Pu6 Al18'
_cell_volume   448.52247460
_cell_formula_units_Z   6
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  0.00000000  0.25000000  1.0
  Pu  Pu1  1  0.00000000  0.00000000  0.75000000  1.0
  Pu  Pu2  1  0.33333300  0.66666700  0.08529400  1.0
  Pu  Pu3  1  0.66666700  0.33333300  0.58529400  1.0
  Pu  Pu4  1  0.66666700  0.33333300  0.91470600  1.0
  Pu  Pu5  1  0.33333300  0.66666700  0.41470600  1.0
  Al  Al6  1  0.50754900  0.01509700  0.25000000  1.0
  Al  Al7  1  0.49245100  0.50754900  0.75000000  1.0
  Al  Al8  1  0.01509700  0.50754900  0.75000000  1.0
  Al  Al9  1  0.98490300  0.49245100  0.25000000  1.0
  Al  Al10  1  0.50754900  0.49245100  0.25000000  1.0
  Al  Al11  1  0.49245100  0.98490300  0.75000000  1.0
  Al  Al12  1  0.16861400  0.33722800  0.58255000  1.0
  Al  Al13  1  0.83138600  0.16861400  0.08255000  1.0
  Al  Al14  1  0.33722800  0.16861400  0.08255000  1.0
  Al  Al15  1  0.66277200  0.83138600  0.58255000  1.0
  Al  Al16  1  0.16861400  0.83138600  0.58255000  1.0
  Al  Al17  1  0.83138600  0.66277200  0.41745000  1.0
  Al  Al18  1  0.83138600  0.16861400  0.41745000  1.0
  Al  Al19  1  0.83138600  0.66277200  0.08255000  1.0
  Al  Al20  1  0.33722800  0.16861400  0.41745000  1.0
  Al  Al21  1  0.66277200  0.83138600  0.91745000  1.0
  Al  Al22  1  0.16861400  0.33722800  0.91745000  1.0
  Al  Al23  1  0.16861400  0.83138600  0.91745000  1.0