CXY LATTICE,NONEQUIV.ATOMS 3 65 Cmmm MODE OF CALC=RELA unit=bohr 7.603502 29.145246 8.754534 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.36989000 Z=0.50000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.63011000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 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=0.20149000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.79851000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.35 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000