# half ferrocene C5v
     6.987     8.995    12.196    90.000    90.000    90.000
 2 1 .24 .24
Fe1    1  0.23550  0.25000  0.50400
C1     1  0.50180  0.25000  0.57560
C2     1  0.39540  0.37860  0.60840
C3     1  0.22380  0.32980  0.66240
C4     1  0.39540  0.12140  0.60840
C5     1  0.22380  0.17020  0.66240
H1     1  0.63800  0.25000  0.53390
H2     1  0.43680  0.49280  0.59490
H3     1  0.11430  0.40040  0.69680
H4     1  0.43680  0.00720  0.59490
H5     1  0.11430  0.09960  0.69680