B   LATTICE,NONEQUIV.ATOMS   5   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.850688 16.850688 23.835116 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14750000 Y=0.35270000 Z=0.15900000
          MULT= 8          ISPLIT= 8
      -1: X=0.85250000 Y=0.64730000 Z=0.84100000
      -1: X=0.64730000 Y=0.14750000 Z=0.15900000
      -1: X=0.35270000 Y=0.85250000 Z=0.84100000
      -1: X=0.85250000 Y=0.64730000 Z=0.15900000
      -1: X=0.14750000 Y=0.35270000 Z=0.84100000
      -1: X=0.35270000 Y=0.85250000 Z=0.15900000
      -1: X=0.64730000 Y=0.14750000 Z=0.84100000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
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=0.50000000
          MULT= 1          ISPLIT=-2
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.24930000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.75070000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.34040000 Y=0.15900000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.65960000 Y=0.84100000 Z=0.00000000
      -5: X=0.84100000 Y=0.34040000 Z=0.00000000
      -5: X=0.15900000 Y=0.65960000 Z=0.00000000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000