Pyrope
Meagher E P
American Mineralogist 60 (1975) 218-228
The crystal structures of pyrope and grossularite at elevated temperatures
T = 25 deg C
garnet
_database_code_amcsd 0000446
11.456 11.456 11.456 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      .00072 .00231 .00231      0      0 .00065
Al       0     0     0   .4
Si       0   .25  .375      .00038 .00038 .00087      0      0      0
O    .0328 .0503 .6534      .00158 .00038 .00073 .00014 -.0001 .00031