B LATTICE,NONEQUIV.ATOMS 4 140 I4/mcm MODE OF CALC=RELA unit=bohr 15.371032 15.371032 29.802871 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -1: X=0.00000000 Y=0.00000000 Z=0.50000000 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=0.17387000 Y=0.67387000 Z=0.14441000 MULT= 8 ISPLIT= 8 -2: X=0.82613000 Y=0.32613000 Z=0.85559000 -2: X=0.32613000 Y=0.17387000 Z=0.14441000 -2: X=0.67387000 Y=0.82613000 Z=0.85559000 -2: X=0.82613000 Y=0.32613000 Z=0.14441000 -2: X=0.17387000 Y=0.67387000 Z=0.85559000 -2: X=0.67387000 Y=0.82613000 Z=0.14441000 -2: X=0.32613000 Y=0.17387000 Z=0.85559000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT=-2 -3: X=0.00000000 Y=0.00000000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.43 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 -4: X=0.61265000 Y=0.11265000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.38735000 Y=0.88735000 Z=0.00000000 -4: X=0.88735000 Y=0.61265000 Z=0.00000000 -4: X=0.11265000 Y=0.38735000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.43 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000