P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.331348 9.231690 16.197032 90.000000 90.000000 90.000000 ATOM -1: X=0.00334000 Y=0.25000000 Z=0.70926000 MULT= 4 ISPLIT= 8 -1: X=0.99666000 Y=0.75000000 Z=0.29074000 -1: X=0.50334000 Y=0.25000000 Z=0.79074000 -1: X=0.49666000 Y=0.75000000 Z=0.20926000 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=0.27460000 Y=0.25000000 Z=0.40690000 MULT= 4 ISPLIT= 8 -2: X=0.72540000 Y=0.75000000 Z=0.59310000 -2: X=0.77460000 Y=0.25000000 Z=0.09310000 -2: X=0.22540000 Y=0.75000000 Z=0.90690000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.16200000 Y=0.25000000 Z=0.07300000 MULT= 4 ISPLIT= 8 -3: X=0.83800000 Y=0.75000000 Z=0.92700000 -3: X=0.66200000 Y=0.25000000 Z=0.42700000 -3: X=0.33800000 Y=0.75000000 Z=0.57300000 Li NPT= 781 R0=.000100000 RMT= 2.16 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000