P LATTICE,NONEQUIV.ATOMS 6 113 P-421m MODE OF CALC=RELA unit=bohr 15.119132 15.119132 9.774042 90.000000 90.000000 90.000000 ATOM -1: X=0.16530000 Y=0.66530000 Z=0.50650000 MULT= 4 ISPLIT= 8 -1: X=0.66530000 Y=0.83470000 Z=0.49350000 -1: X=0.83470000 Y=0.33470000 Z=0.50650000 -1: X=0.33470000 Y=0.16530000 Z=0.49350000 Sr NPT= 781 R0=.000010000 RMT= 2.40 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -2: X=0.50000000 Y=0.50000000 Z=0.00000000 Zn NPT= 781 R0=.000050000 RMT= 1.98 Z: 30.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.63870000 Y=0.13870000 Z=0.94810000 MULT= 4 ISPLIT= 8 -3: X=0.13870000 Y=0.36130000 Z=0.05190000 -3: X=0.36130000 Y=0.86130000 Z=0.94810000 -3: X=0.86130000 Y=0.63870000 Z=0.05190000 Si NPT= 781 R0=.000100000 RMT= 1.38 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.50000000 Z=0.15460000 MULT= 2 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.84540000 O NPT= 781 R0=.000100000 RMT= 1.60 Z: 8.00000 LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.64080000 Y=0.14080000 Z=0.25430000 MULT= 4 ISPLIT= 8 -5: X=0.14080000 Y=0.35920000 Z=0.74570000 -5: X=0.35920000 Y=0.85920000 Z=0.25430000 -5: X=0.85920000 Y=0.64080000 Z=0.74570000 O NPT= 781 R0=.000100000 RMT= 1.60 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -6: X=0.08050000 Y=0.19390000 Z=0.19500000 MULT= 8 ISPLIT= 8 -6: X=0.19390000 Y=0.91950000 Z=0.80500000 -6: X=0.58050000 Y=0.30610000 Z=0.80500000 -6: X=0.91950000 Y=0.80610000 Z=0.19500000 -6: X=0.30610000 Y=0.41950000 Z=0.19500000 -6: X=0.80610000 Y=0.08050000 Z=0.80500000 -6: X=0.41950000 Y=0.69390000 Z=0.80500000 -6: X=0.69390000 Y=0.58050000 Z=0.19500000 O NPT= 781 R0=.000100000 RMT= 1.60 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000