P LATTICE,NONEQUIV.ATOMS 6 19 P212121 MODE OF CALC=RELA unit=bohr 8.288339 11.502763 11.841024 90.000000 90.000000 90.000000 ATOM -1: X=0.29600000 Y=0.16400000 Z=0.44400000 MULT= 4 ISPLIT= 8 -1: X=0.20400000 Y=0.83600000 Z=0.94400000 -1: X=0.79600000 Y=0.33600000 Z=0.55600000 -1: X=0.70400000 Y=0.66400000 Z=0.05600000 C NPT= 781 R0=.000100000 RMT= 1.08 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 -2: X=0.42200000 Y=0.31100000 Z=0.06200000 MULT= 4 ISPLIT= 8 -2: X=0.07800000 Y=0.68900000 Z=0.56200000 -2: X=0.92200000 Y=0.18900000 Z=0.93800000 -2: X=0.57800000 Y=0.81100000 Z=0.43800000 C NPT= 781 R0=.000100000 RMT= 1.08 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=0.12700000 Y=0.02500000 Z=0.00900000 MULT= 4 ISPLIT= 8 -3: X=0.37300000 Y=0.97500000 Z=0.50900000 -3: X=0.62700000 Y=0.47500000 Z=0.99100000 -3: X=0.87300000 Y=0.52500000 Z=0.49100000 O NPT= 781 R0=.000100000 RMT= 1.20 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.47300000 Y=0.25800000 Z=0.26200000 MULT= 4 ISPLIT= 8 -4: X=0.02700000 Y=0.74200000 Z=0.76200000 -4: X=0.97300000 Y=0.24200000 Z=0.73800000 -4: X=0.52700000 Y=0.75800000 Z=0.23800000 O NPT= 781 R0=.000100000 RMT= 1.20 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.03700000 Y=0.23200000 Z=0.42900000 MULT= 4 ISPLIT= 8 -5: X=0.46300000 Y=0.76800000 Z=0.92900000 -5: X=0.53700000 Y=0.26800000 Z=0.57100000 -5: X=0.96300000 Y=0.73200000 Z=0.07100000 O NPT= 781 R0=.000100000 RMT= 1.20 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.06800000 Y=0.33700000 Z=0.05200000 MULT= 4 ISPLIT= 8 -6: X=0.43200000 Y=0.66300000 Z=0.55200000 -6: X=0.56800000 Y=0.16300000 Z=0.94800000 -6: X=0.93200000 Y=0.83700000 Z=0.44800000 O NPT= 781 R0=.000100000 RMT= 1.20 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000