P LATTICE,NONEQUIV.ATOMS 4 19 P212121 MODE OF CALC=RELA unit=bohr 8.352590 19.124028 23.243631 90.000000 90.000000 90.000000 ATOM -1: X=0.23400000 Y=0.44920000 Z=0.03590000 MULT= 4 ISPLIT= 8 -1: X=0.26600000 Y=0.55080000 Z=0.53590000 -1: X=0.73400000 Y=0.05080000 Z=0.96410000 -1: X=0.76600000 Y=0.94920000 Z=0.46410000 Sb NPT= 781 R0=.000010000 RMT= 2.37 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.02210000 Y=0.04600000 Z=0.13510000 MULT= 4 ISPLIT= 8 -2: X=0.47790000 Y=0.95400000 Z=0.63510000 -2: X=0.52210000 Y=0.45400000 Z=0.86490000 -2: X=0.97790000 Y=0.54600000 Z=0.36490000 Br NPT= 781 R0=.000050000 RMT= 2.25 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.52070000 Y=0.26120000 Z=0.11740000 MULT= 4 ISPLIT= 8 -3: X=0.97930000 Y=0.73880000 Z=0.61740000 -3: X=0.02070000 Y=0.23880000 Z=0.88260000 -3: X=0.47930000 Y=0.76120000 Z=0.38260000 Br NPT= 781 R0=.000050000 RMT= 2.25 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.46060000 Y=0.12330000 Z=0.36350000 MULT= 4 ISPLIT= 8 -4: X=0.03940000 Y=0.87670000 Z=0.86350000 -4: X=0.96060000 Y=0.37670000 Z=0.63650000 -4: X=0.53940000 Y=0.62330000 Z=0.13650000 Br NPT= 781 R0=.000050000 RMT= 2.25 Z: 35.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000