P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.514652 9.335247 16.913049 90.000000 90.000000 90.000000 ATOM -1: X=0.14400000 Y=0.25000000 Z=0.06600000 MULT= 4 ISPLIT= 8 -1: X=0.85600000 Y=0.75000000 Z=0.93400000 -1: X=0.64400000 Y=0.25000000 Z=0.43400000 -1: X=0.35600000 Y=0.75000000 Z=0.56600000 Mg NPT= 781 R0=.000100000 RMT= 2.50000 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.27800000 Y=0.25000000 Z=0.39200000 MULT= 4 ISPLIT= 8 -2: X=0.72200000 Y=0.75000000 Z=0.60800000 -2: X=0.77800000 Y=0.25000000 Z=0.10800000 -2: X=0.22200000 Y=0.75000000 Z=0.89200000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.01100000 Y=0.25000000 Z=0.68800000 MULT= 4 ISPLIT= 8 -3: X=0.98900000 Y=0.75000000 Z=0.31200000 -3: X=0.51100000 Y=0.25000000 Z=0.81200000 -3: X=0.48900000 Y=0.75000000 Z=0.18800000 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