R   LATTICE,NONEQUIV.ATOMS   5  155 R32                                        
MODE OF CALC=RELA unit=bohr                                                    
  8.365818  8.365818 35.421025 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.30260000 Y=0.30260000 Z=0.30260000
          MULT= 2          ISPLIT= 4
      -2: X=0.69740000 Y=0.69740000 Z=0.69740000
Be         NPT=  781  R0=.000100000 RMT= 1.28        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.19        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.30940000 Y=0.69060000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -4: X=0.69060000 Y=0.00000000 Z=0.30940000
      -4: X=0.00000000 Y=0.30940000 Z=0.69060000
O          NPT=  781  R0=.000100000 RMT= 1.38        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.22152000 Y=0.22152000 Z=0.22152000
          MULT= 2          ISPLIT= 4
      -5: X=0.77848000 Y=0.77848000 Z=0.77848000
F          NPT=  781  R0=.000100000 RMT= 1.57        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000