P   LATTICE,NONEQUIV.ATOMS   7  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
 17.313671 17.313671 18.126253 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33380000 Y=0.66620000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.66620000 Y=0.33380000 Z=0.00000000
      -1: X=0.83380000 Y=0.83380000 Z=0.50000000
      -1: X=0.16620000 Y=0.16620000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.50000000 Z=0.25000000
          MULT= 4          ISPLIT=-2
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
      -2: X=0.50000000 Y=0.00000000 Z=0.75000000
      -2: X=0.50000000 Y=0.00000000 Z=0.25000000
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  -3: X=0.19180000 Y=0.19180000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80820000 Y=0.80820000 Z=0.00000000
      -3: X=0.30820000 Y=0.69180000 Z=0.50000000
      -3: X=0.69180000 Y=0.30820000 Z=0.50000000
Te         NPT=  781  R0=.000010000 RMT= 1.89        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  -4: X=0.37690000 Y=0.37690000 Z=0.28360000
          MULT= 8          ISPLIT= 8
      -4: X=0.62310000 Y=0.62310000 Z=0.71640000
      -4: X=0.12310000 Y=0.87690000 Z=0.78360000
      -4: X=0.87690000 Y=0.12310000 Z=0.21640000
      -4: X=0.62310000 Y=0.62310000 Z=0.28360000
      -4: X=0.37690000 Y=0.37690000 Z=0.71640000
      -4: X=0.87690000 Y=0.12310000 Z=0.78360000
      -4: X=0.12310000 Y=0.87690000 Z=0.21640000
K          NPT=  781  R0=.000050000 RMT= 2.49        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00120000 Y=0.26880000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -5: X=0.99880000 Y=0.73120000 Z=0.00000000
      -5: X=0.23120000 Y=0.50120000 Z=0.50000000
      -5: X=0.76880000 Y=0.49880000 Z=0.50000000
      -5: X=0.49880000 Y=0.76880000 Z=0.50000000
      -5: X=0.50120000 Y=0.23120000 Z=0.50000000
      -5: X=0.73120000 Y=0.99880000 Z=0.00000000
      -5: X=0.26880000 Y=0.00120000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.18120000 Y=0.18120000 Z=0.20220000
          MULT= 8          ISPLIT= 8
      -6: X=0.81880000 Y=0.81880000 Z=0.79780000
      -6: X=0.31880000 Y=0.68120000 Z=0.70220000
      -6: X=0.68120000 Y=0.31880000 Z=0.29780000
      -6: X=0.81880000 Y=0.81880000 Z=0.20220000
      -6: X=0.18120000 Y=0.18120000 Z=0.79780000
      -6: X=0.68120000 Y=0.31880000 Z=0.70220000
      -6: X=0.31880000 Y=0.68120000 Z=0.29780000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.33650000 Y=0.33650000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.66350000 Y=0.66350000 Z=0.00000000
      -7: X=0.16350000 Y=0.83650000 Z=0.50000000
      -7: X=0.83650000 Y=0.16350000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000