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.5Sr.5TiO3, x = 0.5
_database_code_amcsd 0002892
5.4677 5.4713 7.7390 90 90 90 Pbnm
atom     x     y     z occ Biso
Ca   .9971 .0080   .25  .5  .77
Sr   .9971 .0080   .25  .5  .77
Ti      .5     0     0      .72
O1    .025  .496   .25      1.2
O2    .730  .269  .025      1.8