P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.200201 9.101488 15.977068 90.000000 90.000000 90.000000 ATOM -1: X=0.27520000 Y=0.25000000 Z=0.40730000 MULT= 4 ISPLIT= 8 -1: X=0.72480000 Y=0.75000000 Z=0.59270000 -1: X=0.77520000 Y=0.25000000 Z=0.09270000 -1: X=0.22480000 Y=0.75000000 Z=0.90730000 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 ATOM -2: X=0.00340000 Y=0.25000000 Z=0.70910000 MULT= 4 ISPLIT= 8 -2: X=0.99660000 Y=0.75000000 Z=0.29090000 -2: X=0.50340000 Y=0.25000000 Z=0.79090000 -2: X=0.49660000 Y=0.75000000 Z=0.20910000 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=0.16100000 Y=0.25000000 Z=0.07570000 MULT= 4 ISPLIT= 8 -3: X=0.83900000 Y=0.75000000 Z=0.92430000 -3: X=0.66100000 Y=0.25000000 Z=0.42430000 -3: X=0.33900000 Y=0.75000000 Z=0.57570000 Li NPT= 781 R0=.000100000 RMT= 2.20 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000