R   LATTICE,NONEQUIV.ATOMS   4  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
  6.576247  6.576247 43.085755 90.000000 90.000000120.000000                   
ATOM  -1: X=0.21200000 Y=0.21200000 Z=0.21200000
          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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ti         NPT=  781  R0=.000050000 RMT= 2.27        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  -3: X=0.62200000 Y=0.62200000 Z=0.62200000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.38800000 Y=0.38800000 Z=0.38800000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000