CXZ LATTICE,NONEQUIV.ATOMS   7    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 10.431288 15.922832 14.624591 90.000000 90.000000 81.010000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.86700000
          MULT= 1          ISPLIT= 8
Pd         NPT=  781  R0=.000010000 RMT= 2.27        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=0.00000000 Y=0.50000000 Z=0.23100000
          MULT= 1          ISPLIT= 8
Pd         NPT=  781  R0=.000010000 RMT= 2.27        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  -3: X=0.96600000 Y=0.17600000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.03400000 Y=0.82400000 Z=0.25000000
Pd         NPT=  781  R0=.000010000 RMT= 2.27        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  -4: X=0.46000000 Y=0.17400000 Z=0.26900000
          MULT= 2          ISPLIT= 8
      -4: X=0.54000000 Y=0.82600000 Z=0.26900000
Pd         NPT=  781  R0=.000010000 RMT= 2.27        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  -5: X=0.64400000 Y=0.35300000 Z=0.04100000
          MULT= 2          ISPLIT= 8
      -5: X=0.35600000 Y=0.64700000 Z=0.04100000
Pd         NPT=  781  R0=.000010000 RMT= 2.27        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  -6: X=0.74200000 Y=0.00700000 Z=0.00700000
          MULT= 2          ISPLIT= 8
      -6: X=0.25800000 Y=0.99300000 Z=0.00700000
Pd         NPT=  781  R0=.000010000 RMT= 2.27        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  -7: X=0.72800000 Y=0.28500000 Z=0.52100000
          MULT= 2          ISPLIT= 8
      -7: X=0.27200000 Y=0.71500000 Z=0.52100000
As         NPT=  781  R0=.000050000 RMT= 2.16        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000