P LATTICE,NONEQUIV.ATOMS 4 14 P21/n MODE OF CALC=RELA unit=bohr 18.043105 6.539019 11.711011 90.000000 90.000000103.470000 ATOM -1: X=0.15782000 Y=0.14160000 Z=0.50557000 MULT= 4 ISPLIT= 8 -1: X=0.84218000 Y=0.85840000 Z=0.49443000 -1: X=0.34218000 Y=0.35840000 Z=0.00557000 -1: X=0.65782000 Y=0.64160000 Z=0.99443000 Ag NPT= 781 R0=.000010000 RMT= 2.17 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=0.00370000 Y=0.40300000 Z=0.11600000 MULT= 4 ISPLIT= 8 -2: X=0.99630000 Y=0.59700000 Z=0.88400000 -2: X=0.49630000 Y=0.09700000 Z=0.61600000 -2: X=0.50370000 Y=0.90300000 Z=0.38400000 C NPT= 781 R0=.000100000 RMT= 1.10 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=0.11830000 Y=0.50700000 Z=0.21410000 MULT= 4 ISPLIT= 8 -3: X=0.88170000 Y=0.49300000 Z=0.78590000 -3: X=0.38170000 Y=0.99300000 Z=0.71410000 -3: X=0.61830000 Y=0.00700000 Z=0.28590000 O NPT= 781 R0=.000100000 RMT= 1.21 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=0.39030000 Y=0.17500000 Z=0.32280000 MULT= 4 ISPLIT= 8 -4: X=0.60970000 Y=0.82500000 Z=0.67720000 -4: X=0.10970000 Y=0.32500000 Z=0.82280000 -4: X=0.89030000 Y=0.67500000 Z=0.17720000 O NPT= 781 R0=.000100000 RMT= 1.21 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000