P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 24.893362 19.088124 16.504868 90.000000 90.000000 90.000000 ATOM -1: X=0.07660000 Y=0.03960000 Z=0.19220000 MULT= 8 ISPLIT= 8 -1: X=0.92340000 Y=0.96040000 Z=0.80780000 -1: X=0.57660000 Y=0.03960000 Z=0.30780000 -1: X=0.42340000 Y=0.96040000 Z=0.69220000 -1: X=0.42340000 Y=0.53960000 Z=0.69220000 -1: X=0.57660000 Y=0.46040000 Z=0.30780000 -1: X=0.92340000 Y=0.53960000 Z=0.80780000 -1: X=0.07660000 Y=0.46040000 Z=0.19220000 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=0.22620000 Y=0.25000000 Z=0.82340000 MULT= 4 ISPLIT= 8 -2: X=0.77380000 Y=0.75000000 Z=0.17660000 -2: X=0.72620000 Y=0.25000000 Z=0.67660000 -2: X=0.27380000 Y=0.75000000 Z=0.32340000 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=0.28920000 Y=0.25000000 Z=0.35180000 MULT= 4 ISPLIT= 8 -3: X=0.71080000 Y=0.75000000 Z=0.64820000 -3: X=0.78920000 Y=0.25000000 Z=0.14820000 -3: X=0.21080000 Y=0.75000000 Z=0.85180000 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 -4: X=0.00630000 Y=0.25000000 Z=0.53510000 MULT= 4 ISPLIT= 8 -4: X=0.99370000 Y=0.75000000 Z=0.46490000 -4: X=0.50630000 Y=0.25000000 Z=0.96490000 -4: X=0.49370000 Y=0.75000000 Z=0.03510000 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 -5: X=0.32990000 Y=0.01510000 Z=0.06860000 MULT= 8 ISPLIT= 8 -5: X=0.67010000 Y=0.98490000 Z=0.93140000 -5: X=0.82990000 Y=0.01510000 Z=0.43140000 -5: X=0.17010000 Y=0.98490000 Z=0.56860000 -5: X=0.17010000 Y=0.51510000 Z=0.56860000 -5: X=0.82990000 Y=0.48490000 Z=0.43140000 -5: X=0.67010000 Y=0.51510000 Z=0.93140000 -5: X=0.32990000 Y=0.48490000 Z=0.06860000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.48400000 Y=0.25000000 Z=0.57690000 MULT= 4 ISPLIT= 8 -6: X=0.51600000 Y=0.75000000 Z=0.42310000 -6: X=0.98400000 Y=0.25000000 Z=0.92310000 -6: X=0.01600000 Y=0.75000000 Z=0.07690000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000