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Transparent Ceramics example
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Description:
The example approximate disorder in transparent ceramics.

Al Saghir, K., Chenu, S., Veron, E., Fayon, F., 
Suchomel, M., Genevois, C., … Allix, M. (2015). 
Transparency through structural disorder: 
A new concept for innovative transparent ceramics. 
Chemistry of Materials, 27(2), 508–514. 
doi:10.1021/cm5037106


Instructions:
Supercell should be installed. 

Examples:

The supecell approximation for cell 1x2x1 (charge balanced, dry run):

supercell -d -i SrSiAlO.cif -s 1x2x1 -p "Sr*:c=+2" -p "Al*:c=+3" -p "O*:c=-2" -p "Si*:c=+4"

Reference output:

...

 Group 1 (16 atomic positions in supercell):
  * Site #1: Si1 (occ. 0.4129) -> distributed over 6 positions out of 16 (actual occ.: 0.375).
  * Site #2: Al1 (occ. 0.587) -> distributed over 10 positions out of 16 (actual occ.: 0.625).
  Number of combinations for the group is 8008

...

 Group 5 (4 atomic positions in supercell):
  * Site #1: Sr2 (occ. 0.1741) -> distributed over 1 positions out of 4 (actual occ.: 0.250).
  Number of combinations for the group is 4

...
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The total number of combinations is 32032
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