Tausonite
Yamanaka T, Hirai M, Komatsu Y
American Mineralogist 87 (2002) 1183-1189
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
Sample: Ca.4Sr.6TiO3, x = 0.6
_database_code_amcsd 0002893
5.4784 5.4791 7.7517 90 90 90 Pbnm
atom     x     y     z occ Biso
Ca   .9975 .0053   .25  .4  .74
Sr   .9975 .0053   .25  .6  .74
Ti      .5     0     0      .82
O1    .005  .496   .25      1.5
O2    .739  .262  .022      1.6