P LATTICE,NONEQUIV.ATOMS 4 19 P212121 MODE OF CALC=RELA unit=bohr 13.600359 13.823347 24.216840 90.000000 90.000000 90.000000 ATOM -1: X=0.67440000 Y=0.15570000 Z=0.21340000 MULT= 4 ISPLIT= 8 -1: X=0.82560000 Y=0.84430000 Z=0.71340000 -1: X=0.17440000 Y=0.34430000 Z=0.78660000 -1: X=0.32560000 Y=0.65570000 Z=0.28660000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.09260000 Y=0.10280000 Z=0.41690000 MULT= 4 ISPLIT= 8 -2: X=0.40740000 Y=0.89720000 Z=0.91690000 -2: X=0.59260000 Y=0.39720000 Z=0.58310000 -2: X=0.90740000 Y=0.60280000 Z=0.08310000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.41030000 Y=0.44490000 Z=0.03410000 MULT= 4 ISPLIT= 8 -3: X=0.08970000 Y=0.55510000 Z=0.53410000 -3: X=0.91030000 Y=0.05510000 Z=0.96590000 -3: X=0.58970000 Y=0.94490000 Z=0.46590000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 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 -4: X=0.17400000 Y=0.17010000 Z=0.11940000 MULT= 4 ISPLIT= 8 -4: X=0.32600000 Y=0.82990000 Z=0.61940000 -4: X=0.67400000 Y=0.32990000 Z=0.88060000 -4: X=0.82600000 Y=0.67010000 Z=0.38060000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000