P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 12.909097 8.110705 14.178615 90.000000 90.000000 90.000000 ATOM -1: X=0.00203000 Y=0.25000000 Z=0.70404000 MULT= 4 ISPLIT=15 -1: X=0.99797000 Y=0.75000000 Z=0.29596000 -1: X=0.50203000 Y=0.25000000 Z=0.79596000 -1: X=0.49797000 Y=0.75000000 Z=0.20404000 Lu NPT= 781 R0=.000010000 RMT= 2.00000 Z: 71.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.29512000 Y=0.25000000 Z=0.41631000 MULT= 4 ISPLIT=15 -2: X=0.70488000 Y=0.75000000 Z=0.58369000 -2: X=0.79512000 Y=0.25000000 Z=0.08369000 -2: X=0.20488000 Y=0.75000000 Z=0.91631000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.19280000 Y=0.25000000 Z=0.08990000 MULT= 4 ISPLIT=15 -3: X=0.80720000 Y=0.75000000 Z=0.91010000 -3: X=0.69280000 Y=0.25000000 Z=0.41010000 -3: X=0.30720000 Y=0.75000000 Z=0.58990000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000