B LATTICE,NONEQUIV.ATOMS 2 74 Imma MODE OF CALC=RELA unit=bohr 9.356223 15.198500 15.942108 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.53875000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.75000000 Z=0.46125000 Ba NPT= 781 R0=.000010000 RMT= 2.50000 Z: 56.00000 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=0.05224000 Z=0.16449000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.94776000 Z=0.83551000 -2: X=0.00000000 Y=0.55224000 Z=0.83551000 -2: X=0.00000000 Y=0.44776000 Z=0.16449000 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