P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 16.485971 8.705968 12.126373 90.000000 90.000000 90.000000 ATOM -1: X=0.17800000 Y=0.25000000 Z=0.61700000 MULT= 4 ISPLIT= 8 -1: X=0.82200000 Y=0.75000000 Z=0.38300000 -1: X=0.67800000 Y=0.25000000 Z=0.88300000 -1: X=0.32200000 Y=0.75000000 Z=0.11700000 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=0.02800000 Y=0.25000000 Z=0.10100000 MULT= 4 ISPLIT= 8 -2: X=0.97200000 Y=0.75000000 Z=0.89900000 -2: X=0.52800000 Y=0.25000000 Z=0.39900000 -2: X=0.47200000 Y=0.75000000 Z=0.60100000 Zn NPT= 781 R0=.000050000 RMT= 2.50000 Z: 30.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000