R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.579179 17.579179 49.021765 90.000000 90.000000120.000000                   
ATOM  -1: X=0.64873000 Y=0.28841000 Z=0.42501000
          MULT= 6          ISPLIT= 8
      -1: X=0.35127000 Y=0.71159000 Z=0.57499000
      -1: X=0.28841000 Y=0.42501000 Z=0.64873000
      -1: X=0.71159000 Y=0.57499000 Z=0.35127000
      -1: X=0.42501000 Y=0.64873000 Z=0.28841000
      -1: X=0.57499000 Y=0.35127000 Z=0.71159000
Nb         NPT=  781  R0=.000010000 RMT= 2.42        Z:  41.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.34020000 Y=0.23778000 Z=0.92176000
          MULT= 6          ISPLIT= 8
      -3: X=0.65980000 Y=0.76222000 Z=0.07824000
      -3: X=0.23778000 Y=0.92176000 Z=0.34020000
      -3: X=0.76222000 Y=0.07824000 Z=0.65980000
      -3: X=0.92176000 Y=0.34020000 Z=0.23778000
      -3: X=0.07824000 Y=0.65980000 Z=0.76222000
Cl         NPT=  781  R0=.000100000 RMT= 2.19        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=0.58457000 Y=0.42526000 Z=0.16416000
          MULT= 6          ISPLIT= 8
      -4: X=0.41543000 Y=0.57474000 Z=0.83584000
      -4: X=0.42526000 Y=0.16416000 Z=0.58457000
      -4: X=0.57474000 Y=0.83584000 Z=0.41543000
      -4: X=0.16416000 Y=0.58457000 Z=0.42526000
      -4: X=0.83584000 Y=0.41543000 Z=0.57474000
Cl         NPT=  781  R0=.000100000 RMT= 2.19        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=0.33967000 Y=0.83159000 Z=0.01753000
          MULT= 6          ISPLIT= 8
      -5: X=0.66033000 Y=0.16841000 Z=0.98247000
      -5: X=0.83159000 Y=0.01753000 Z=0.33967000
      -5: X=0.16841000 Y=0.98247000 Z=0.66033000
      -5: X=0.01753000 Y=0.33967000 Z=0.83159000
      -5: X=0.98247000 Y=0.66033000 Z=0.16841000
Cl         NPT=  781  R0=.000100000 RMT= 2.19        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=0.27838000 Y=0.27838000 Z=0.27838000
          MULT= 2          ISPLIT= 4
      -6: X=0.72162000 Y=0.72162000 Z=0.72162000
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