Pyrope
Meagher E P
American Mineralogist 60 (1975) 218-228
The crystal structures of pyrope and grossularite at elevated temperatures
T = 350 deg C
garnet
_database_code_amcsd 0000447
11.490 11.490 11.490 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      .00179 .00300 .00300       0      0  .00034
Al       0     0     0  .71
Si       0   .25  .375      .00065 .00065 .00140       0      0       0
O    .0335 .0499 .6534      .00223 .00217 .00099 -.00008 .00021 -.00027