| Idealized coordinates of T atoms in space group  P 42/m m c  | ||||||
| a = 7.1630 Å | b = 7.1630 Å | c = 20.8760 Å | α = 90.000° | β = 90.000° | γ = 90.000° | |
| T-atom Name  | Site Multiplicity  | x | y | z | Symmetry Restrictions  | Site Symmetry  | |||
| T1 | 8 | 0.2814 | 0.5 | 0.0765 | X,1/2,Z | m | |||
| T2 | 8 | 0 | 0.7944 | 0.1285 | 0,Y,Z | m | |||
| T3 | 2 | 0 | 0 | 0.75 | 0,0,3/4 | -42m | |||