Wien97 struct file generated by XCrySDen program                               
F                            3
             NREL
 10.777868 10.777868 10.777868 90.000001 90.000001 90.000001
      -1    0.25000000   0.25000000   0.25000000
                2                  8
      -1    0.75000000   0.75000000   0.75000000
Fe               781     0.00005000         2.2835      26.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -2    0.50000000   0.50000000   0.50000000
                1                  8
V                781     0.00005000         2.2835      23.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
      -3    0.00000000   0.00000000   0.00000000
                1                  8
Al               781     0.00010000         2.1724      13.0
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
           0