P LATTICE,NONEQUIV.ATOMS 3 92 P41212 MODE OF CALC=RELA unit=bohr 9.767427 9.767427 11.844614 90.000000 90.000000 90.000000 ATOM -1: X=0.31260000 Y=0.31260000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.18740000 Y=0.81260000 Z=0.25000000 -1: X=0.81260000 Y=0.18740000 Z=0.75000000 -1: X=0.68740000 Y=0.68740000 Z=0.50000000 Li NPT= 781 R0=.000100000 RMT= 1.65 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.67590000 Y=0.67590000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.82410000 Y=0.17590000 Z=0.25000000 -2: X=0.17590000 Y=0.82410000 Z=0.75000000 -2: X=0.32410000 Y=0.32410000 Z=0.50000000 Al NPT= 781 R0=.000100000 RMT= 1.65 Z: 13.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.16310000 Y=0.20940000 Z=0.27230000 MULT= 8 ISPLIT= 8 -3: X=0.29060000 Y=0.66310000 Z=0.52230000 -3: X=0.66310000 Y=0.29060000 Z=0.47770000 -3: X=0.83690000 Y=0.79060000 Z=0.77230000 -3: X=0.20940000 Y=0.16310000 Z=0.72770000 -3: X=0.70940000 Y=0.33690000 Z=0.02230000 -3: X=0.33690000 Y=0.70940000 Z=0.97770000 -3: X=0.79060000 Y=0.83690000 Z=0.22770000 O NPT= 781 R0=.000100000 RMT= 1.65 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000