Titanite
Taylor M, Brown G E
American Mineralogist 61 (1976) 435-447
High-temperature structural study of the P2_1/a - A2/a phase transition in
synthetic titanite, CaTiSiO5
T = 515 deg C
_database_code_amcsd 0000523
7.077 8.743 6.584 90 113.68 90 *A2/a
0 .25 -.25
atom     x     y     z Biso
Ca     .25 .4187   .25 2.41
Ti      .5   .25   .75 1.26
Si     .75 .4330   .25  .76
O1     .75 .3212   .75 1.38
O2   .9102 .3166 .4346 1.37
O3   .3816 .4603 .6477 1.29