Thanks in advance for your response.

I have a question about calculation of x y z coordinates in CFG files. Below is a part of CFG file I obtained.

As showing, it shows H0 vectors and atom (Ni) data. For each Ni atom, 9 data correspond to xs,ys,zs,x,y,z,xu,yu,zu.

In my understanding, and according to atomeye web page, atom coordinates (x,y,z) can be calculated from H0 vectors and (xs,ys,zs).

=============this is from atom eye webpage (http://li.mit.edu/Archive/Graphics/A/)=================

The atom specifications are the rows above, one row for each atom, with the meaning of each column entry explained in the comments. The reduced coordinates s1,s2,s3 should be between 0 and 1. The Cartesian coordinates of the atoms can be determined from the reduced coordinates as,

```
x = s1 * H(1,1) + s2 * H(2,1) + s3 * H(3,1)
y = s1 * H(1,2) + s2 * H(2,2) + s3 * H(3,2)
z = s1 * H(1,3) + s2 * H(2,3) + s3 * H(3,3)
```