Geometry Editing

Good! The clean way is:

CRYSTAL
1 0 0
P 21/A

I guess the extra "1"s you put are safe as they correspond to the identity operator.

GiacomoAmbrogio

Dear Ambrogio,

Thank you so much! the problem has been perfectly solved.

All the best,

wang

Thank you Giacomo Ambrogio.
I am greatful to the CRYSTAL code forum
This will help alot.

Best Wishes