37-LaCeCo5_opt_ctoa_75p_Ce                                                     
P                           12                                                 
             RELA                                                              
  9.552002 19.104194 15.041848 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
La1        NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 57.0                   
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=0.50000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
La2        NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 57.0                   
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=0.50000000
          MULT= 1          ISPLIT= 8
Ce3        NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 58.0                   
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=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
La4        NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 57.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.33333334 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.66666667 Y=0.66666666 Z=0.00000000
Co5        NPT=  781  R0=0.00005000 RMT=    2.2700   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.66666667 Y=0.16666666 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.33333333 Y=0.83333334 Z=0.00000000
Co6        NPT=  781  R0=0.00005000 RMT=    2.2700   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.33333333 Y=0.33333334 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -7: X=0.66666667 Y=0.66666666 Z=0.50000000
Co7        NPT=  781  R0=0.00005000 RMT=    2.2700   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.66666667 Y=0.16666666 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -8: X=0.33333333 Y=0.83333334 Z=0.50000000
Co8        NPT=  781  R0=0.00005000 RMT=    2.2700   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.50000000 Y=0.00000000 Z=0.75000000
Co9        NPT=  781  R0=0.00005000 RMT=    2.2700   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.50000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
     -10: X=0.50000000 Y=0.75000000 Z=0.25000000
     -10: X=0.50000000 Y=0.25000000 Z=0.75000000
     -10: X=0.50000000 Y=0.75000000 Z=0.75000000
Co10       NPT=  781  R0=0.00005000 RMT=    2.2700   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.00000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
     -11: X=0.00000000 Y=0.75000000 Z=0.25000000
     -11: X=0.00000000 Y=0.25000000 Z=0.75000000
     -11: X=0.00000000 Y=0.75000000 Z=0.75000000
Co11       NPT=  781  R0=0.00005000 RMT=    2.2700   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.50000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -12: X=0.50000000 Y=0.50000000 Z=0.75000000
Co12       NPT=  781  R0=0.00005000 RMT=    2.2700   Z: 27.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   4      NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.00000000
 0-1 0 0.00000000
 0 0-1 0.00000000
       1
-1 0 0 0.00000000
 0-1 0 0.00000000
 0 0 1 0.00000000
       2
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0-1 0.00000000
       3
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
       4
