A.4. 5 symm (F) Symmetry Information

Packet Size - 12 words

SEQDescription
Packet 1Contains miscellaneous information.
+1code to indicate lattice type as:
 lattice type P I R F A B C
 noncentro cell 1 2 3 4 5 6 7
 centro cell 8 9 10 11 12 13 14
+2centrosymmetric / noncentrosymmetric indicator 0 / 1
+3total number of symmetry equivalent positions
+4number of distinct rotation matrices and translation vectors exclusive of lattice translations and center (N)
+5number of rotation matrices of identical pattern of zeros
+6cell multiplicity factor to place A and B parts of the structure factor on the scale of International Tables (Vol. 1).
+7number of matrices, M, stored for finding neighbour lattice interactions in CEDAR
+8number of molecules in the cell (see also lrmole:)
+9crystal and Bravais systems
 (tri=1; mon=2; ort=3; tet=4; trg=5; rho=6; hex=7; cub=8)
+10cell unique axis number (1=a, 2=b, 3=c, 4=none)
Packet 2Rotation matrix and translation vector for 1st equivalent position.
+1...+12r11, r21, r31, r12, r22, r32, r13, r23, r33, t1, t2, t3
Packet 3 to N+1for the remaining N equivalent positions. The maximum value of N is 24.Matrices involving an inversion centre or non-primitive translations are excluded.
Packet N+2 to M+1additional equivalent positions used by CEDAR.