P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 25.904366 11.523550 16.858247 90.000000 90.000000 90.000000 ATOM -1: X=0.37030000 Y=0.25000000 Z=0.53430000 MULT= 4 ISPLIT= 8 -1: X=0.62970000 Y=0.75000000 Z=0.46570000 -1: X=0.87030000 Y=0.25000000 Z=0.96570000 -1: X=0.12970000 Y=0.75000000 Z=0.03430000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.09490000 Y=0.25000000 Z=0.33690000 MULT= 4 ISPLIT= 8 -2: X=0.90510000 Y=0.75000000 Z=0.66310000 -2: X=0.59490000 Y=0.25000000 Z=0.16310000 -2: X=0.40510000 Y=0.75000000 Z=0.83690000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.13350000 Y=0.25000000 Z=0.78230000 MULT= 4 ISPLIT= 8 -3: X=0.86650000 Y=0.75000000 Z=0.21770000 -3: X=0.63350000 Y=0.25000000 Z=0.71770000 -3: X=0.36650000 Y=0.75000000 Z=0.28230000 Sn NPT= 781 R0=.000010000 RMT= 2.04 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.30530000 Y=0.25000000 Z=0.08130000 MULT= 4 ISPLIT= 8 -4: X=0.69470000 Y=0.75000000 Z=0.91870000 -4: X=0.80530000 Y=0.25000000 Z=0.41870000 -4: X=0.19470000 Y=0.75000000 Z=0.58130000 Sn NPT= 781 R0=.000010000 RMT= 2.04 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.27290000 Y=0.00070000 Z=0.23190000 MULT= 8 ISPLIT= 8 -5: X=0.72710000 Y=0.99930000 Z=0.76810000 -5: X=0.77290000 Y=0.00070000 Z=0.26810000 -5: X=0.22710000 Y=0.99930000 Z=0.73190000 -5: X=0.22710000 Y=0.50070000 Z=0.73190000 -5: X=0.77290000 Y=0.49930000 Z=0.26810000 -5: X=0.72710000 Y=0.50070000 Z=0.76810000 -5: X=0.27290000 Y=0.49930000 Z=0.23190000 O NPT= 781 R0=.000100000 RMT= 1.76 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 -6: X=0.16000000 Y=0.25000000 Z=0.00530000 MULT= 4 ISPLIT= 8 -6: X=0.84000000 Y=0.75000000 Z=0.99470000 -6: X=0.66000000 Y=0.25000000 Z=0.49470000 -6: X=0.34000000 Y=0.75000000 Z=0.50530000 O NPT= 781 R0=.000100000 RMT= 1.76 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000