P LATTICE,NONEQUIV.ATOMS 2 14 P21/n MODE OF CALC=RELA unit=bohr 10.234190 7.285650 20.346303 90.000000 90.000000134.503000 ATOM -1: X=0.05500000 Y=0.09300000 Z=0.11910000 MULT= 4 ISPLIT= 8 -1: X=0.94500000 Y=0.90700000 Z=0.88090000 -1: X=0.44500000 Y=0.40700000 Z=0.61910000 -1: X=0.55500000 Y=0.59300000 Z=0.38090000 In NPT= 781 R0=.000010000 RMT= 1.87 Z: 49.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.01900000 Y=0.02000000 Z=0.35900000 MULT= 4 ISPLIT= 8 -2: X=0.98100000 Y=0.98000000 Z=0.64100000 -2: X=0.48100000 Y=0.48000000 Z=0.85900000 -2: X=0.51900000 Y=0.52000000 Z=0.14100000 S NPT= 781 R0=.000100000 RMT= 1.53 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000