atom       Ti       2.481      2.481      1.806 
atom       Ti      -2.481     -2.481      1.806 
atom       Ti      -2.484      2.484      3.471 
atom       Ti       2.484     -2.484      3.471 
atom       Ti      -2.484     -2.484     -3.471 
atom       Ti       2.484      2.484     -3.471 
atom       Ti      -2.481      2.481     -1.806 
atom       Ti       2.481     -2.481     -1.806 
atom        C       0.894      0.894      4.968 
atom        C      -0.894     -0.894      4.968 
atom        C       0.894     -0.894     -4.968 
atom        C      -0.894      0.894     -4.968 
atom        C       4.751      0.730     -1.053 
atom        C       4.751     -0.730      1.053 
atom        C      -4.751      0.730      1.053 
atom        C      -4.751     -0.730     -1.053 
atom        C       0.730      4.751     -1.053 
atom        C      -0.730      4.751      1.053 
atom        C       0.730     -4.751      1.053 
atom        C      -0.730     -4.751     -1.053 

spec        Ti       1.800     0.80
spec         C       0.800     0.6

bonds       Ti       Ti    1.000    6.000      0.200     1.0
bonds        C        C    1.000    4.000      0.150     0.6

tmat  1.000  0.000  0.000  0.000  1.000  0.000  0.000  0.000  1.000
dist    15.000
inc      3.000
scale   20.101
rfac 1.00
bfac 1.00
switches 1 0 1 0 0 1 1 0 0