P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 24.848009 16.982969 15.490085 90.000000 90.000000 90.000000
ATOM  -1: X=0.33000000 Y=0.50680000 Z=0.44280000
          MULT= 8          ISPLIT=15
      -1: X=0.67000000 Y=0.49320000 Z=0.55720000
      -1: X=0.83000000 Y=0.50680000 Z=0.05720000
      -1: X=0.17000000 Y=0.49320000 Z=0.94280000
      -1: X=0.17000000 Y=0.00680000 Z=0.94280000
      -1: X=0.83000000 Y=0.99320000 Z=0.05720000
      -1: X=0.67000000 Y=0.00680000 Z=0.55720000
      -1: X=0.33000000 Y=0.99320000 Z=0.44280000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00550000 Y=0.25000000 Z=0.42740000
          MULT= 4          ISPLIT=15
      -2: X=0.99450000 Y=0.75000000 Z=0.57260000
      -2: X=0.50550000 Y=0.25000000 Z=0.07260000
      -2: X=0.49450000 Y=0.75000000 Z=0.92740000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00910000 Y=0.25000000 Z=0.08530000
          MULT= 4          ISPLIT=15
      -3: X=0.99090000 Y=0.75000000 Z=0.91470000
      -3: X=0.50910000 Y=0.25000000 Z=0.41470000
      -3: X=0.49090000 Y=0.75000000 Z=0.58530000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.29840000 Y=0.25000000 Z=0.15670000
          MULT= 4          ISPLIT=15
      -4: X=0.70160000 Y=0.75000000 Z=0.84330000
      -4: X=0.79840000 Y=0.25000000 Z=0.34330000
      -4: X=0.20160000 Y=0.75000000 Z=0.65670000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.17910000 Y=0.25000000 Z=0.61970000
          MULT= 4          ISPLIT=15
      -5: X=0.82090000 Y=0.75000000 Z=0.38030000
      -5: X=0.67910000 Y=0.25000000 Z=0.88030000
      -5: X=0.32090000 Y=0.75000000 Z=0.11970000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.07250000 Y=0.54300000 Z=0.33420000
          MULT= 8          ISPLIT=15
      -6: X=0.92750000 Y=0.45700000 Z=0.66580000
      -6: X=0.57250000 Y=0.54300000 Z=0.16580000
      -6: X=0.42750000 Y=0.45700000 Z=0.83420000
      -6: X=0.42750000 Y=0.04300000 Z=0.83420000
      -6: X=0.57250000 Y=0.95700000 Z=0.16580000
      -6: X=0.92750000 Y=0.04300000 Z=0.66580000
      -6: X=0.07250000 Y=0.95700000 Z=0.33420000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000