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 = 4.01 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019510
6.5605 6.5605 9.6574 90 90 120 P-6c2
atom     x     y     z  Uiso
Ba     2/3   1/3     0 .0079
Ti     1/3   2/3     0  .002
Si   .0688 .7806   .25 .0004
O1    .812  .745   .25  .001
O2    .087  .653 .3877  .002