P   LATTICE,NONEQUIV.ATOMS   6  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 15.811150 15.811150 20.862010 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15856000 Y=0.65856000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.84144000 Y=0.34144000 Z=0.00000000
      -1: X=0.34144000 Y=0.15856000 Z=0.00000000
      -1: X=0.65856000 Y=0.84144000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.28221000
          MULT= 4          ISPLIT=-2
      -2: X=0.00000000 Y=0.00000000 Z=0.71779000
      -2: X=0.50000000 Y=0.50000000 Z=0.28221000
      -2: X=0.50000000 Y=0.50000000 Z=0.71779000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.33989000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.66011000
      -3: X=0.50000000 Y=0.00000000 Z=0.33989000
      -3: X=0.50000000 Y=0.00000000 Z=0.66011000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18398000 Y=0.68398000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -4: X=0.81602000 Y=0.31602000 Z=0.50000000
      -4: X=0.31602000 Y=0.18398000 Z=0.50000000
      -4: X=0.68398000 Y=0.81602000 Z=0.50000000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.65620000 Y=0.15620000 Z=0.19588000
          MULT= 8          ISPLIT= 8
      -5: X=0.34380000 Y=0.84380000 Z=0.80412000
      -5: X=0.84380000 Y=0.65620000 Z=0.19588000
      -5: X=0.15620000 Y=0.34380000 Z=0.80412000
      -5: X=0.34380000 Y=0.84380000 Z=0.19588000
      -5: X=0.65620000 Y=0.15620000 Z=0.80412000
      -5: X=0.15620000 Y=0.34380000 Z=0.19588000
      -5: X=0.84380000 Y=0.65620000 Z=0.80412000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -6: X=0.50000000 Y=0.50000000 Z=0.00000000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000