Perovskite
Yamanaka T, Hirai M, Komatsu Y
American Mineralogist 87 (2002) 1183-1189
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
Sample: CaTiO3, x = 0.0
_database_code_amcsd 0002890
5.4043 5.4224 7.6510 90 90 90 Pbnm
atom     x     y     z Biso
Ca   .9916 .0123   .25  .62
Ti      .5     0     0  .45
O1   .0586 .4687   .25  1.2
O2    .713  .288 .0371  1.3