input format 3


cartesian_cell headline - file type specifier
[cell] 5 5 5 90 90 90 only cubic lattice parameters allowed. Adjust a b c to scale your data until the relativ size of the atom radii looks okay.
[natom] 1977 see format 1
[nbond] 10 see format 1
[npoly] 0 see format 1
[title] cartesian test data see format 1
[atoms] see format 1
A25 1 767.820 214.910 96.130

A25 1 397.700 724.340 96.130

...

A16 1 817.050 153.920 1005.000

atom_label atomic_number cartesian x y z
[bonds]
1 2
...
all bond pairs have to be specified
[poly] all individual polygons have to be specified

This format might be useful in the case of molecules or atom clusters when no unit cell is needed.
No diffraction patterns can be calculated from such a file!

See also ASYMMETRIC_UNIT_CELL and FULL_UNIT_CELL.