Perovskite
Yamanaka T, Hirai M, Komatsu Y
American Mineralogist 87 (2002) 1183-1189
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
Sample: Ca.75Sr.25TiO3, x = 0.25
_database_code_amcsd 0002891
5.4440 5.4591 7.7213 90 90 90 Pbnm
atom     x     y     z occ Biso
Ca   .9942 .0090   .25 .75  .88
Sr   .9942 .0090   .25 .25  .88
Ti      .5     0     0      .28
O1    .035  .483   .25     1.16
O2    .721  .281  .031      2.3