P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 12.423060 8.420620 10.351920 90.000000 90.000000107.340000 ATOM -1: X=0.70022000 Y=0.34367000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.29978000 Y=0.65633000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.46 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=0.15804000 Y=0.06634000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.84196000 Y=0.93366000 Z=0.75000000 Se NPT= 781 R0=.000050000 RMT= 1.66 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.11000000 Y=0.67300000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.89000000 Y=0.32700000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.50 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.32820000 Y=0.17710000 Z=0.01150000 MULT= 4 ISPLIT= 8 -4: X=0.67180000 Y=0.82290000 Z=0.98850000 -4: X=0.67180000 Y=0.82290000 Z=0.51150000 -4: X=0.32820000 Y=0.17710000 Z=0.48850000 O NPT= 781 R0=.000100000 RMT= 1.50 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000