R   LATTICE,NONEQUIV.ATOMS   7  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.211076 13.211076 38.382228 90.000000 90.000000120.000000                   
ATOM  -1: X=0.84190000 Y=0.84190000 Z=0.84190000
          MULT= 1          ISPLIT= 4
Na         NPT=  781  R0=.000100000 RMT= 2.50000     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  -2: X=0.16993000 Y=0.16993000 Z=0.16993000
          MULT= 1          ISPLIT= 4
Na         NPT=  781  R0=.000100000 RMT= 2.50000     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  -3: X=0.52380000 Y=0.95240000 Z=0.52380000
          MULT= 3          ISPLIT= 8
      -3: X=0.95240000 Y=0.52380000 Z=0.52380000
      -3: X=0.52380000 Y=0.52380000 Z=0.95240000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.58150000 Y=0.58150000 Z=0.58150000
          MULT= 1          ISPLIT= 4
Cl         NPT=  781  R0=.000100000 RMT= 2.17        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=0.90770000 Y=0.41229000 Z=0.90770000
          MULT= 3          ISPLIT= 8
      -5: X=0.41229000 Y=0.90770000 Z=0.90770000
      -5: X=0.90770000 Y=0.90770000 Z=0.41229000
Cl         NPT=  781  R0=.000100000 RMT= 2.17        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.39683000 Y=0.39683000 Z=0.39683000
          MULT= 1          ISPLIT= 4
Cl         NPT=  781  R0=.000100000 RMT= 2.17        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  -7: X=0.09930000 Y=0.59409000 Z=0.09930000
          MULT= 3          ISPLIT= 8
      -7: X=0.59409000 Y=0.09930000 Z=0.09930000
      -7: X=0.09930000 Y=0.09930000 Z=0.59409000
Cl         NPT=  781  R0=.000100000 RMT= 2.17        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000