B LATTICE,NONEQUIV.ATOMS 1 74 Imma MODE OF CALC=RELA unit=bohr 8.334826 9.260792 5.000782 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.00160000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.99840000 P NPT= 781 R0=.000100000 RMT= 2.30 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000