R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.385935 10.385935 37.959496 90.000000 90.000000120.000000                   
ATOM  -1: X=0.30314000 Y=0.30314000 Z=0.30314000
          MULT= 2          ISPLIT= 4
      -1: X=0.69686000 Y=0.69686000 Z=0.69686000
Mg         NPT=  781  R0=.000100000 RMT= 2.00        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.19950000 Y=0.19950000 Z=0.19950000
          MULT= 2          ISPLIT= 4
      -2: X=0.80050000 Y=0.80050000 Z=0.80050000
N          NPT=  781  R0=.000100000 RMT= 1.50        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.66124000 Y=0.12953000 Z=0.66124000
          MULT= 6          ISPLIT= 8
      -3: X=0.33876000 Y=0.87047000 Z=0.33876000
      -3: X=0.12953000 Y=0.66124000 Z=0.66124000
      -3: X=0.87047000 Y=0.33876000 Z=0.33876000
      -3: X=0.66124000 Y=0.66124000 Z=0.12953000
      -3: X=0.33876000 Y=0.33876000 Z=0.87047000
B          NPT=  781  R0=.000100000 RMT= 1.36        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.67554000 Y=0.35167000 Z=0.67554000
          MULT= 6          ISPLIT= 8
      -4: X=0.32446000 Y=0.64833000 Z=0.32446000
      -4: X=0.35167000 Y=0.67554000 Z=0.67554000
      -4: X=0.64833000 Y=0.32446000 Z=0.32446000
      -4: X=0.67554000 Y=0.67554000 Z=0.35167000
      -4: X=0.32446000 Y=0.32446000 Z=0.64833000
B          NPT=  781  R0=.000100000 RMT= 1.36        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.85765000 Y=0.17585000 Z=0.85765000
          MULT= 6          ISPLIT= 8
      -5: X=0.14235000 Y=0.82415000 Z=0.14235000
      -5: X=0.17585000 Y=0.85765000 Z=0.85765000
      -5: X=0.82415000 Y=0.14235000 Z=0.14235000
      -5: X=0.85765000 Y=0.85765000 Z=0.17585000
      -5: X=0.14235000 Y=0.14235000 Z=0.82415000
B          NPT=  781  R0=.000100000 RMT= 1.36        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000