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 |
| 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 |
| 41 | atom 4 label |
| 42-44 | atom 4 fractional coords x,y,z |
| 45 | atom 4 symop number |
| 46 | atom 4 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 |
| 401-412 | atom 4 symmetry elements |