B   LATTICE,NONEQUIV.ATOMS   4  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 28.223060 28.223060 24.390695 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.37500000
          MULT= 4          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.62500000
      -1: X=0.00000000 Y=0.25000000 Z=0.87500000
      -1: X=0.00000000 Y=0.75000000 Z=0.12500000
Pd         NPT=  781  R0=.000010000 RMT= 2.34        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11819000 Y=0.36819000 Z=0.12500000
          MULT= 8          ISPLIT= 8
      -2: X=0.88181000 Y=0.63181000 Z=0.87500000
      -2: X=0.88181000 Y=0.86819000 Z=0.37500000
      -2: X=0.61819000 Y=0.63181000 Z=0.12500000
      -2: X=0.88181000 Y=0.36819000 Z=0.62500000
      -2: X=0.11819000 Y=0.63181000 Z=0.37500000
      -2: X=0.88181000 Y=0.13181000 Z=0.12500000
      -2: X=0.11819000 Y=0.86819000 Z=0.87500000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.15978000 Y=0.22095000 Z=0.36622000
          MULT=16          ISPLIT= 8
      -3: X=0.84022000 Y=0.77905000 Z=0.63378000
      -3: X=0.02905000 Y=0.90978000 Z=0.61622000
      -3: X=0.47095000 Y=0.59022000 Z=0.88378000
      -3: X=0.84022000 Y=0.22095000 Z=0.86622000
      -3: X=0.15978000 Y=0.77905000 Z=0.13378000
      -3: X=0.84022000 Y=0.27905000 Z=0.36622000
      -3: X=0.15978000 Y=0.72095000 Z=0.63378000
      -3: X=0.02905000 Y=0.59022000 Z=0.11622000
      -3: X=0.47095000 Y=0.90978000 Z=0.38378000
      -3: X=0.47095000 Y=0.09022000 Z=0.11622000
      -3: X=0.02905000 Y=0.40978000 Z=0.38378000
      -3: X=0.15978000 Y=0.27905000 Z=0.86622000
      -3: X=0.84022000 Y=0.72095000 Z=0.13378000
      -3: X=0.47095000 Y=0.40978000 Z=0.61622000
      -3: X=0.02905000 Y=0.09022000 Z=0.88378000
Se         NPT=  781  R0=.000050000 RMT= 2.20        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=0.25285000 Y=0.15404000 Z=0.09172000
          MULT=16          ISPLIT= 8
      -4: X=0.74715000 Y=0.84596000 Z=0.90828000
      -4: X=0.09596000 Y=0.00285000 Z=0.34172000
      -4: X=0.40404000 Y=0.49715000 Z=0.15828000
      -4: X=0.74715000 Y=0.15404000 Z=0.59172000
      -4: X=0.25285000 Y=0.84596000 Z=0.40828000
      -4: X=0.74715000 Y=0.34596000 Z=0.09172000
      -4: X=0.25285000 Y=0.65404000 Z=0.90828000
      -4: X=0.09596000 Y=0.49715000 Z=0.84172000
      -4: X=0.40404000 Y=0.00285000 Z=0.65828000
      -4: X=0.40404000 Y=0.99715000 Z=0.84172000
      -4: X=0.09596000 Y=0.50285000 Z=0.65828000
      -4: X=0.25285000 Y=0.34596000 Z=0.59172000
      -4: X=0.74715000 Y=0.65404000 Z=0.40828000
      -4: X=0.40404000 Y=0.50285000 Z=0.34172000
      -4: X=0.09596000 Y=0.99715000 Z=0.15828000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000