R   LATTICE,NONEQUIV.ATOMS   7  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.852363 11.852363 58.411435 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37200000 Y=0.37200000 Z=0.37200000
          MULT= 2          ISPLIT= 4
      -1: X=0.62800000 Y=0.62800000 Z=0.62800000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21884000 Y=0.21884000 Z=0.21884000
          MULT= 2          ISPLIT= 4
      -2: X=0.78116000 Y=0.78116000 Z=0.78116000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09770000 Y=0.09770000 Z=0.09770000
          MULT= 2          ISPLIT= 4
      -3: X=0.90230000 Y=0.90230000 Z=0.90230000
Na         NPT=  781  R0=.000100000 RMT= 2.10        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  -4: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 1.85        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 1.85        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.89670000 Y=0.32059000 Z=0.89670000
          MULT= 6          ISPLIT= 8
      -6: X=0.10330000 Y=0.67941000 Z=0.10330000
      -6: X=0.32059000 Y=0.89670000 Z=0.89670000
      -6: X=0.67941000 Y=0.10330000 Z=0.10330000
      -6: X=0.89670000 Y=0.89670000 Z=0.32059000
      -6: X=0.10330000 Y=0.10330000 Z=0.67941000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.68070000 Y=0.24559000 Z=0.68070000
          MULT= 6          ISPLIT= 8
      -7: X=0.31930000 Y=0.75441000 Z=0.31930000
      -7: X=0.24559000 Y=0.68070000 Z=0.68070000
      -7: X=0.75441000 Y=0.31930000 Z=0.31930000
      -7: X=0.68070000 Y=0.68070000 Z=0.24559000
      -7: X=0.31930000 Y=0.31930000 Z=0.75441000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000