P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.757206 12.007320 21.977515 90.000000 90.000000 91.490000                   
ATOM  -1: X=0.86711000 Y=0.05430000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.13289000 Y=0.94570000 Z=0.75000000
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=0.59310000 Y=0.55560000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.40690000 Y=0.44440000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.01        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  -3: X=0.14650000 Y=0.56490000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.85350000 Y=0.43510000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.01        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=0.37310000 Y=0.11220000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.62690000 Y=0.88780000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.01        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=0.36080000 Y=0.40840000 Z=0.11133000
          MULT= 4          ISPLIT= 8
      -5: X=0.63920000 Y=0.59160000 Z=0.88867000
      -5: X=0.63920000 Y=0.59160000 Z=0.61133000
      -5: X=0.36080000 Y=0.40840000 Z=0.38867000
Ti         NPT=  781  R0=.000050000 RMT= 2.22        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=0.38850000 Y=0.73170000 Z=0.00070000
          MULT= 4          ISPLIT= 8
      -6: X=0.61150000 Y=0.26830000 Z=0.99930000
      -6: X=0.61150000 Y=0.26830000 Z=0.50070000
      -6: X=0.38850000 Y=0.73170000 Z=0.49930000
Cl         NPT=  781  R0=.000100000 RMT= 2.01        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=0.13380000 Y=0.25320000 Z=0.00720000
          MULT= 4          ISPLIT= 8
      -7: X=0.86620000 Y=0.74680000 Z=0.99280000
      -7: X=0.86620000 Y=0.74680000 Z=0.50720000
      -7: X=0.13380000 Y=0.25320000 Z=0.49280000
Cl         NPT=  781  R0=.000100000 RMT= 2.01        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000