P LATTICE,NONEQUIV.ATOMS 5 11 P21/m MODE OF CALC=RELA unit=bohr 21.498469 8.753778 8.691228 90.000000 90.000000 90.542000 ATOM -1: X=0.13236000 Y=0.22610000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.86764000 Y=0.77390000 Z=0.75000000 Sn NPT= 781 R0=.000010000 RMT= 2.44 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.49959000 Y=0.75650000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.50041000 Y=0.24350000 Z=0.75000000 Sn NPT= 781 R0=.000010000 RMT= 2.44 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.36060000 Y=0.25660000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.63940000 Y=0.74340000 Z=0.75000000 Zn NPT= 781 R0=.000050000 RMT= 2.44 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00100000 Y=0.73070000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.99900000 Y=0.26930000 Z=0.75000000 Zn NPT= 781 R0=.000050000 RMT= 2.44 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.75464000 Y=0.25770000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.24536000 Y=0.74230000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000