R   LATTICE,NONEQUIV.ATOMS   6  155 R32                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.765582 10.765582 44.452030 90.000000 90.000000120.000000                   
ATOM  -1: X=0.15740000 Y=0.36680000 Z=0.78780000
          MULT= 6          ISPLIT= 8
      -1: X=0.36680000 Y=0.78780000 Z=0.15740000
      -1: X=0.84260000 Y=0.21220000 Z=0.63320000
      -1: X=0.78780000 Y=0.15740000 Z=0.36680000
      -1: X=0.21220000 Y=0.63320000 Z=0.84260000
      -1: X=0.63320000 Y=0.84260000 Z=0.21220000
O          NPT=  781  R0=.000100000 RMT= 1.66        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.26170000 Y=0.73830000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -2: X=0.73830000 Y=0.00000000 Z=0.26170000
      -2: X=0.00000000 Y=0.26170000 Z=0.73830000
O          NPT=  781  R0=.000100000 RMT= 1.66        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  -3: X=0.06481000 Y=0.06481000 Z=0.06481000
          MULT= 2          ISPLIT= 4
      -3: X=0.93519000 Y=0.93519000 Z=0.93519000
Ta         NPT=  781  R0=.000005000 RMT= 1.93        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20200000 Y=0.20200000 Z=0.20200000
          MULT= 2          ISPLIT= 4
      -4: X=0.79800000 Y=0.79800000 Z=0.79800000
Na         NPT=  781  R0=.000100000 RMT= 2.20        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.36845000 Y=0.36845000 Z=0.36845000
          MULT= 2          ISPLIT= 4
      -5: X=0.63155000 Y=0.63155000 Z=0.63155000
Ca         NPT=  781  R0=.000050000 RMT= 2.15        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.15        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000