B LATTICE,NONEQUIV.ATOMS 4 139 I4/mmm MODE OF CALC=RELA unit=bohr 14.702069 14.702069 22.782727 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.17106000 MULT= 2 ISPLIT=-2 -1: X=0.00000000 Y=0.00000000 Z=0.82894000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 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=0.50000000 Z=0.25000000 MULT= 2 ISPLIT=-2 -2: X=0.00000000 Y=0.50000000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.7071068-0.7071068 0.0000000 0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.33724000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.66276000 Y=0.00000000 Z=0.00000000 -3: X=0.00000000 Y=0.33724000 Z=0.00000000 -3: X=0.00000000 Y=0.66276000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.38 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 0.0000000 1.0000000 0.0000000 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.31728000 Y=0.31728000 Z=0.10547000 MULT= 8 ISPLIT= 8 -4: X=0.68272000 Y=0.68272000 Z=0.89453000 -4: X=0.68272000 Y=0.31728000 Z=0.10547000 -4: X=0.31728000 Y=0.68272000 Z=0.89453000 -4: X=0.68272000 Y=0.68272000 Z=0.10547000 -4: X=0.31728000 Y=0.31728000 Z=0.89453000 -4: X=0.31728000 Y=0.68272000 Z=0.10547000 -4: X=0.68272000 Y=0.31728000 Z=0.89453000 Ge NPT= 781 R0=.000050000 RMT= 2.38 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000