Authors: Lutz Englehardt and Syd Hall

Contact: Syd Hall,Crystallography Centre,

University of Western Australia, Nedlands, WA 6907, Australia

ATABLE tabulates atomic coordinates and thermal parameters suitable for publication. Atoms are listed in the same order as stored on the bdf. The precision of each parameter type is automatically determined and the standard deviations, if available, are appended.

Up to five tables are automatically output to the print file and the pchfile.

Table 1 Atomic coordinates and isotropic thermal parameter U, or for anisotropically refined atoms (flagged with *) for all atoms, where

Table 2 Identical to Table 1 but for non-hydrogen atoms only.

Table 3 Identical to Table 1 but for hydrogen atoms only.

Table 4 Thermal displacement parameters and U for all atoms.

Table 5 Anisotropic thermal displacement parameters .

Tables 2 and 3 will be listed only if there are hydrogen atoms. Tables 4 and 5 will be listed only if there are anisotropic thermal parameters. Table 5 will be listed only if there are isotropic thermal parameters.