CXY LATTICE,NONEQUIV.ATOMS 5 64 Cmca MODE OF CALC=RELA unit=bohr 10.282000 21.499414 23.109461 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.04768000 Z=0.35739000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.95232000 Z=0.64261000 -1: X=0.00000000 Y=0.54768000 Z=0.14261000 -1: X=0.00000000 Y=0.45232000 Z=0.85739000 Sr NPT= 781 R0=.000010000 RMT= 2.45 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.35556000 Z=0.44286000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.64444000 Z=0.55714000 -2: X=0.00000000 Y=0.85556000 Z=0.05714000 -2: X=0.00000000 Y=0.14444000 Z=0.94286000 Sr NPT= 781 R0=.000010000 RMT= 2.45 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.24001000 Z=0.18031000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.75999000 Z=0.81969000 -3: X=0.00000000 Y=0.74001000 Z=0.31969000 -3: X=0.00000000 Y=0.25999000 Z=0.68031000 Ge NPT= 781 R0=.000050000 RMT= 1.88 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.07835000 Z=0.14125000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.92165000 Z=0.85875000 -4: X=0.00000000 Y=0.57835000 Z=0.35875000 -4: X=0.00000000 Y=0.42165000 Z=0.64125000 N NPT= 781 R0=.000100000 RMT= 1.62 Z: 7.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.34058000 Z=0.05971000 MULT= 4 ISPLIT= 8 -5: X=0.00000000 Y=0.65942000 Z=0.94029000 -5: X=0.00000000 Y=0.84058000 Z=0.44029000 -5: X=0.00000000 Y=0.15942000 Z=0.55971000 N NPT= 781 R0=.000100000 RMT= 1.62 Z: 7.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000