P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 23.704347 10.350975 8.417974 90.000000 90.000000 90.000000 ATOM -1: X=0.35005000 Y=0.25000000 Z=0.02573000 MULT= 4 ISPLIT= 8 -1: X=0.64995000 Y=0.75000000 Z=0.97427000 -1: X=0.85005000 Y=0.25000000 Z=0.47427000 -1: X=0.14995000 Y=0.75000000 Z=0.52573000 Sr NPT= 781 R0=.000010000 RMT= 2.48 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=0.57896000 Y=0.25000000 Z=0.50395000 MULT= 4 ISPLIT= 8 -2: X=0.42104000 Y=0.75000000 Z=0.49605000 -2: X=0.07896000 Y=0.25000000 Z=0.99605000 -2: X=0.92104000 Y=0.75000000 Z=0.00395000 Se NPT= 781 R0=.000050000 RMT= 1.66 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.05421000 Y=0.25000000 Z=0.62400000 MULT= 4 ISPLIT= 8 -3: X=0.94579000 Y=0.75000000 Z=0.37600000 -3: X=0.55421000 Y=0.25000000 Z=0.87600000 -3: X=0.44579000 Y=0.75000000 Z=0.12400000 O NPT= 781 R0=.000100000 RMT= 1.50 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.16371000 Y=0.01180000 Z=0.03080000 MULT= 8 ISPLIT= 8 -4: X=0.83629000 Y=0.98820000 Z=0.96920000 -4: X=0.66371000 Y=0.01180000 Z=0.46920000 -4: X=0.33629000 Y=0.98820000 Z=0.53080000 -4: X=0.33629000 Y=0.51180000 Z=0.53080000 -4: X=0.66371000 Y=0.48820000 Z=0.46920000 -4: X=0.83629000 Y=0.51180000 Z=0.96920000 -4: X=0.16371000 Y=0.48820000 Z=0.03080000 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