# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43094621
_cell_length_b   6.45422795
_cell_length_c   8.81777051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al24 Fe4'
_cell_volume   422.90927417
_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
  Al  Al0  1  0.50000000  0.17717600  0.00000000  1
  Al  Al1  1  0.14654800  0.00000000  0.59759700  1
  Al  Al2  1  0.50000000  0.17717600  0.50000000  1
  Al  Al3  1  0.85345200  0.00000000  0.40240300  1
  Al  Al4  1  0.21069300  0.81815800  0.25000000  1
  Al  Al5  1  0.50000000  0.82282400  0.50000000  1
  Al  Al6  1  0.14654800  0.00000000  0.90240300  1
  Al  Al7  1  0.78930700  0.18184200  0.75000000  1
  Al  Al8  1  0.78930700  0.81815800  0.75000000  1
  Al  Al9  1  0.21069300  0.18184200  0.25000000  1
  Al  Al10  1  0.85345200  0.00000000  0.09759700  1
  Al  Al11  1  0.50000000  0.82282400  0.00000000  1
  Al  Al12  1  0.00000000  0.67717600  0.00000000  1
  Al  Al13  1  0.64654800  0.50000000  0.59759700  1
  Al  Al14  1  0.00000000  0.67717600  0.50000000  1
  Al  Al15  1  0.35345200  0.50000000  0.40240300  1
  Al  Al16  1  0.71069300  0.31815800  0.25000000  1
  Al  Al17  1  0.00000000  0.32282400  0.50000000  1
  Al  Al18  1  0.64654800  0.50000000  0.90240300  1
  Al  Al19  1  0.28930700  0.68184200  0.75000000  1
  Al  Al20  1  0.28930700  0.31815800  0.75000000  1
  Al  Al21  1  0.71069300  0.68184200  0.25000000  1
  Al  Al22  1  0.35345200  0.50000000  0.09759700  1
  Al  Al23  1  0.00000000  0.32282400  0.00000000  1
  Fe  Fe24  1  0.46016600  0.00000000  0.75000000  1
  Fe  Fe25  1  0.53983400  0.00000000  0.25000000  1
  Fe  Fe26  1  0.96016600  0.50000000  0.75000000  1
  Fe  Fe27  1  0.03983400  0.50000000  0.25000000  1
