P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 23.296544 9.297453 15.843464 90.000000 90.000000 90.000000 ATOM -1: X=0.33000000 Y=0.25000000 Z=0.37000000 MULT= 4 ISPLIT= 8 -1: X=0.67000000 Y=0.75000000 Z=0.63000000 -1: X=0.83000000 Y=0.25000000 Z=0.13000000 -1: X=0.17000000 Y=0.75000000 Z=0.87000000 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=0.10800000 Y=0.25000000 Z=0.12300000 MULT= 4 ISPLIT= 8 -2: X=0.89200000 Y=0.75000000 Z=0.87700000 -2: X=0.60800000 Y=0.25000000 Z=0.37700000 -2: X=0.39200000 Y=0.75000000 Z=0.62300000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.12000000 Y=0.25000000 Z=0.61700000 MULT= 4 ISPLIT= 8 -3: X=0.88000000 Y=0.75000000 Z=0.38300000 -3: X=0.62000000 Y=0.25000000 Z=0.88300000 -3: X=0.38000000 Y=0.75000000 Z=0.11700000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000