B LATTICE,NONEQUIV.ATOMS 2 74 Imma MODE OF CALC=RELA unit=bohr 8.853367 13.783662 15.369143 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.54617000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.45383000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.05138000 Z=0.16264000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.94862000 Z=0.83736000 -2: X=0.00000000 Y=0.55138000 Z=0.83736000 -2: X=0.00000000 Y=0.44862000 Z=0.16264000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000