P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 14.739864 8.617151 16.157158 90.000000 90.000000 90.000000 ATOM -1: X=0.14200000 Y=0.25000000 Z=0.06400000 MULT= 4 ISPLIT= 8 -1: X=0.85800000 Y=0.75000000 Z=0.93600000 -1: X=0.64200000 Y=0.25000000 Z=0.43600000 -1: X=0.35800000 Y=0.75000000 Z=0.56400000 Mg NPT= 781 R0=.000100000 RMT= 2.49 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.01400000 Y=0.25000000 Z=0.68400000 MULT= 4 ISPLIT= 8 -2: X=0.98600000 Y=0.75000000 Z=0.31600000 -2: X=0.51400000 Y=0.25000000 Z=0.81600000 -2: X=0.48600000 Y=0.75000000 Z=0.18400000 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 -3: X=0.27800000 Y=0.25000000 Z=0.39000000 MULT= 4 ISPLIT= 8 -3: X=0.72200000 Y=0.75000000 Z=0.61000000 -3: X=0.77800000 Y=0.25000000 Z=0.11000000 -3: X=0.22200000 Y=0.75000000 Z=0.89000000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000