Pyrope
Meagher E P
American Mineralogist 60 (1975) 218-228
The crystal structures of pyrope and grossularite at elevated temperatures
T = 750 deg C
garnet
_database_code_amcsd 0000449
11.530 11.530 11.530 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      .00194 .00552 .00552      0       0  .00156
Al       0     0     0 1.12
Si       0   .25  .375      .00146 .00146 .00127      0       0       0
O    .0332 .0489 .6535      .00288 .00323 .00252 .00003 -.00059 -.00015