Packet Size - Variable
IDN | Description |
11 | atom 1 label |
12-14 | atom 1 fractional coords x,y,z |
15 | atom 1 symop number |
16 | atom 1 packed cell translations for origin at 555 |
21 | atom 2 label (at the apex) |
22-24 | atom 2 fractional coords x,y,z |
25 | atom 2 symop number |
26 | atom 2 packed cell translations for origin at 555 |
31 | atom 3 label |
32-34 | atom 3 fractional coords x,y,z |
35 | atom 3 symop number |
36 | atom 3 packed cell translations for origin at 555 |
91 | angle in degrees (calculated) |
92 | e.s.d. of angle (calculated) |
93 | angle in degrees (observed) |
94 | e.s.d. of angle (observed) |
95 | weight of restraint |
101-112 | atom 1 symmetry elements r11 r21 r31 r12 r22 r23 r31 r32 r33 t1 t2 t3 |
201-212 | atom 2 symmetry elements |
301-312 | atom 3 symmetry elements |