It has been written with the needs of the non-standard crystallographer (or the solid state physicist working with crystalline materials) in mind. It is not intended simply for the solution or refinement of ordinary crystal structures, for which other systems may be more suitable.
Let us first take a simple but realistic small example. The main program:
LOGICAL NOMORE DIMENSION H(3),K(3) COMMON /IOUNIT/LPT,ITI,ITO,IPLO,LUNI,IOUT CALL PREFIN('SIMPLE') CALL SYMOP CALL OPSYM(1) CALL SYMUNI CALL RECIP CALL SETGEN(0.2) NSUM=0 WRITE (LPT,2000) 2000 FORMAT (//' h k l Multiplicity') C 1 CALL GETGEN(H,NOMORE) IF (NOMORE) GO TO 2 MULT=MULBOX(H) NSUM=NSUM+MULT CALL INDFIX(H,K) IF (MULT .NE. 0) WRITE (LPT,2001) K,MULT 2001 FORMAT(3I5,I8) GO TO 1 C 2 WRITE (LPT,2002) NSUM 2002 FORMAT (/' Number of reflections inside sphere =',I5) STOP ENDif supplied with a Crystal Data File named SAMPLE.CRY which says:
C 7.07107 7.07107 8.66025 S Y, Y-X, 1/6+Z S -Y, -X, 1/6-Z
and run as a FORTRAN job, given CCSL as a Library, produces the output.