Pyrope
Meagher E P
American Mineralogist 60 (1975) 218-228
The crystal structures of pyrope and grossularite at elevated temperatures
T = 550 deg C
garnet
_database_code_amcsd 0000448
11.507 11.507 11.507 90 90 90 Ia-3d
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3) B(2,3)
Mg    .125     0   .25      .00112 .00536 .00536       0       0 .00168
Al       0     0     0  .75
Si       0   .25  .375      .00177 .00177 .00002       0       0      0
O    .0331 .0493 .6536      .00147 .00176 .00182 -.00003 -.00060 .00033