1. 1. 1. 90. 90. 90.
# with indtol=2 and DCM=0.01 the symmetry is C3h
# with indtol=2 and DCM=0.20 the symmetry is D3h
1 2 .2 .2
Mo1    1    .0000    .0000  -1.2616
Mo2    1    .0000    .0000   1.2616
 O3    1   2.7289    .0000    .0000
 O4    1  -1.3645   2.3633    .0000
 O5    1  -1.3645  -2.3633    .0000
 O6    1  -2.5126   -.0481  -2.8264
 O7    1   1.2979  -2.1519  -2.8264
 O8    1   1.2146   2.1999  -2.8264
 O9    1  -2.5126   -.0481   2.8264
 O10   1   1.2979  -2.1519   2.8264
 O11   1   1.2146   2.1999   2.8264
 C12   1   1.5691   -.0000    .0000
 C13   1   -.7846   1.3589    .0000
 C14   1   -.7846  -1.3589    .0000
 C15   1  -1.5750   -.0185  -2.2040
 C16   1  -1.5750   -.0185   2.2040
 C17   1    .8035  -1.3547  -2.2040
 C18   1    .7714   1.3732  -2.2040
 C19   1    .8035  -1.3547   2.2040
 C20   1    .7714   1.3732   2.2040