P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 17.362804 7.024112 26.151920 90.000000 90.000000 90.000000 ATOM -1: X=0.03672000 Y=0.25000000 Z=0.82850000 MULT= 4 ISPLIT= 8 -1: X=0.96328000 Y=0.75000000 Z=0.17150000 -1: X=0.53672000 Y=0.25000000 Z=0.67150000 -1: X=0.46328000 Y=0.75000000 Z=0.32850000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 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 -2: X=0.16377000 Y=0.25000000 Z=0.45046000 MULT= 4 ISPLIT= 8 -2: X=0.83623000 Y=0.75000000 Z=0.54954000 -2: X=0.66377000 Y=0.25000000 Z=0.04954000 -2: X=0.33623000 Y=0.75000000 Z=0.95046000 Zr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 40.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.27420000 Y=0.25000000 Z=0.28344000 MULT= 4 ISPLIT= 8 -3: X=0.72580000 Y=0.75000000 Z=0.71656000 -3: X=0.77420000 Y=0.25000000 Z=0.21656000 -3: X=0.22580000 Y=0.75000000 Z=0.78344000 S NPT= 781 R0=.000100000 RMT= 2.19 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.16819000 Y=0.25000000 Z=0.00820000 MULT= 4 ISPLIT= 8 -4: X=0.83181000 Y=0.75000000 Z=0.99180000 -4: X=0.66819000 Y=0.25000000 Z=0.49180000 -4: X=0.33181000 Y=0.75000000 Z=0.50820000 S NPT= 781 R0=.000100000 RMT= 2.19 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.01227000 Y=0.25000000 Z=0.60761000 MULT= 4 ISPLIT= 8 -5: X=0.98773000 Y=0.75000000 Z=0.39239000 -5: X=0.51227000 Y=0.25000000 Z=0.89239000 -5: X=0.48773000 Y=0.75000000 Z=0.10761000 S NPT= 781 R0=.000100000 RMT= 2.19 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000