Benitoite
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V
American Mineralogist 97 (2012) 1749-1763
Second-order P6c2-P31c transition and structural crystallography of
the cyclosilicate benitoite, BaTiSi3O9, at high pressure
Note: P = 4.28 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019511
6.5518 6.5518 9.6503 90 90 120 P-6c2
atom     x     y     z  Uiso
Ba     2/3   1/3     0 .0086
Ti     1/3   2/3     0  .002
Si   .0687 .7813   .25 .0018
O1    .811  .745   .25  .001
O2    .086  .653 .3882  .001