B LATTICE,NONEQUIV.ATOMS 3 74 Imma MODE OF CALC=RELA unit=bohr 8.125822 8.333692 26.815214 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.03600000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.75000000 Z=0.96400000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 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=0.25000000 Z=0.21400000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.75000000 Z=0.78600000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.25000000 Z=0.62500000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.75000000 Z=0.37500000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000