P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 20.938166 13.993422 16.106136 90.000000 90.000000 90.000000 ATOM -1: X=0.17500000 Y=0.06500000 Z=0.16700000 MULT= 8 ISPLIT= 8 -1: X=0.82500000 Y=0.93500000 Z=0.83300000 -1: X=0.67500000 Y=0.06500000 Z=0.33300000 -1: X=0.32500000 Y=0.93500000 Z=0.66700000 -1: X=0.32500000 Y=0.56500000 Z=0.66700000 -1: X=0.67500000 Y=0.43500000 Z=0.33300000 -1: X=0.82500000 Y=0.56500000 Z=0.83300000 -1: X=0.17500000 Y=0.43500000 Z=0.16700000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.04000000 Y=0.25000000 Z=0.66700000 MULT= 4 ISPLIT= 8 -2: X=0.96000000 Y=0.75000000 Z=0.33300000 -2: X=0.54000000 Y=0.25000000 Z=0.83300000 -2: X=0.46000000 Y=0.75000000 Z=0.16700000 Hg NPT= 781 R0=.000005000 RMT= 2.50000 Z: 80.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.37000000 Y=0.25000000 Z=0.43000000 MULT= 4 ISPLIT= 8 -3: X=0.63000000 Y=0.75000000 Z=0.57000000 -3: X=0.87000000 Y=0.25000000 Z=0.07000000 -3: X=0.13000000 Y=0.75000000 Z=0.93000000 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