P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.285212 14.440153 10.168238 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.46459000 Y=0.25000000 Z=0.00700000
          MULT= 4          ISPLIT= 8
      -1: X=0.53541000 Y=0.75000000 Z=0.99300000
      -1: X=0.96459000 Y=0.25000000 Z=0.49300000
      -1: X=0.03541000 Y=0.75000000 Z=0.50700000
Ca         NPT=  781  R0=.000050000 RMT= 2.20        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.92        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=0.51550000 Y=0.25000000 Z=0.57540000
          MULT= 4          ISPLIT= 8
      -3: X=0.48450000 Y=0.75000000 Z=0.42460000
      -3: X=0.01550000 Y=0.25000000 Z=0.92460000
      -3: X=0.98450000 Y=0.75000000 Z=0.07540000
O          NPT=  781  R0=.000100000 RMT= 1.74        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  -4: X=0.21110000 Y=0.03590000 Z=0.28780000
          MULT= 8          ISPLIT= 8
      -4: X=0.78890000 Y=0.96410000 Z=0.71220000
      -4: X=0.71110000 Y=0.03590000 Z=0.21220000
      -4: X=0.28890000 Y=0.96410000 Z=0.78780000
      -4: X=0.28890000 Y=0.53590000 Z=0.78780000
      -4: X=0.71110000 Y=0.46410000 Z=0.21220000
      -4: X=0.78890000 Y=0.53590000 Z=0.71220000
      -4: X=0.21110000 Y=0.46410000 Z=0.28780000
O          NPT=  781  R0=.000100000 RMT= 1.74        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000