P LATTICE,NONEQUIV.ATOMS 4 19 P212121 MODE OF CALC=RELA unit=bohr 7.880158 12.736754 25.643584 90.000000 90.000000 90.000000 ATOM -1: X=0.00200000 Y=0.20400000 Z=0.12100000 MULT= 4 ISPLIT=15 -1: X=0.49800000 Y=0.79600000 Z=0.62100000 -1: X=0.50200000 Y=0.29600000 Z=0.87900000 -1: X=0.99800000 Y=0.70400000 Z=0.37900000 Ag NPT= 781 R0=.000010000 RMT= 2.00000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.23000000 Y=0.21000000 Z=0.37100000 MULT= 4 ISPLIT=15 -2: X=0.27000000 Y=0.79000000 Z=0.87100000 -2: X=0.73000000 Y=0.29000000 Z=0.62900000 -2: X=0.77000000 Y=0.71000000 Z=0.12900000 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 -3: X=0.23000000 Y=0.08500000 Z=0.72700000 MULT= 4 ISPLIT=15 -3: X=0.27000000 Y=0.91500000 Z=0.22700000 -3: X=0.73000000 Y=0.41500000 Z=0.27300000 -3: X=0.77000000 Y=0.58500000 Z=0.77300000 Se NPT= 781 R0=.000050000 RMT= 2.00000 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.27200000 Y=0.51500000 Z=0.02700000 MULT= 4 ISPLIT=15 -4: X=0.22800000 Y=0.48500000 Z=0.52700000 -4: X=0.77200000 Y=0.98500000 Z=0.97300000 -4: X=0.72800000 Y=0.01500000 Z=0.47300000 Se NPT= 781 R0=.000050000 RMT= 2.00000 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000