P LATTICE,NONEQUIV.ATOMS 4 55 Pbam MODE OF CALC=RELA unit=bohr 12.571970 12.790422 6.862918 90.000000 90.000000 90.000000 ATOM -1: X=0.31239000 Y=0.30890000 Z=0.50000000 MULT= 4 ISPLIT=15 -1: X=0.68761000 Y=0.69110000 Z=0.50000000 -1: X=0.18761000 Y=0.80890000 Z=0.50000000 -1: X=0.81239000 Y=0.19110000 Z=0.50000000 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=0.04102000 Y=0.32282000 Z=0.00000000 MULT= 4 ISPLIT=15 -2: X=0.95898000 Y=0.67718000 Z=0.00000000 -2: X=0.45898000 Y=0.82282000 Z=0.00000000 -2: X=0.54102000 Y=0.17718000 Z=0.00000000 C NPT= 781 R0=.000100000 RMT= 2.00000 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.09690000 Y=0.09367000 Z=0.00000000 MULT= 4 ISPLIT=15 -3: X=0.90310000 Y=0.90633000 Z=0.00000000 -3: X=0.40310000 Y=0.59367000 Z=0.00000000 -3: X=0.59690000 Y=0.40633000 Z=0.00000000 B NPT= 781 R0=.000100000 RMT= 2.00000 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.34612000 Y=0.03336000 Z=0.00000000 MULT= 4 ISPLIT=15 -4: X=0.65388000 Y=0.96664000 Z=0.00000000 -4: X=0.15388000 Y=0.53336000 Z=0.00000000 -4: X=0.84612000 Y=0.46664000 Z=0.00000000 B NPT= 781 R0=.000100000 RMT= 2.00000 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000