x

y

z

U11

U22

U33

U23

U13

U12

O1

0.3416 (3)

0.67606 (11)

1.04638 (8)

0.0363 (12)

0.0421 (11)

0.0621 (12)

−0.0106 (9)

−0.0017 (10)

0.0029 (10)

O2

0.9067 (3)

0.63173 (13)

0.98309 (9)

0.0344 (11)

0.0459 (12)

0.0692 (12)

0.0038 (10)

−0.0042 (9)

−0.0026 (10)

C1

0.5279 (5)

0.60069 (15)

1.04923 (10)

0.0340 (15)

0.0452 (16)

0.0452 (16)

−0.0081 (13)

−0.0082 (13)

0.0015 (13)

C2

0.6725 (4)

0.57894 (15)

0.98657 (11)

0.0280 (13)

0.0384 (15)

0.0426 (15)

−0.0007 (12)

−0.0037 (12)

0.0025 (13)

C3

0.7390 (4)

0.47057 (14)

0.99289 (10)

0.0399 (16)

0.0420 (14)

0.0472 (15)

0.0033 (13)

−0.0075 (14)

0.0074 (12)

C4

0.4625 (5)

0.33741 (17)

1.04735 (11)

0.068 (2)

0.0472 (17)

0.0568 (18)

0.0003 (15)

0.0001 (18)

0.0003 (16)

C5

0.2729 (5)

0.31992 (19)

1.09150 (13)

0.067 (2)

0.055 (2)

0.066 (2)

0.0147 (17)

0.0020 (18)

−0.0083 (18)

C6

0.1560 (5)

0.3930 (2)

1.12400 (12)

0.063 (2)

0.074 (2)

0.0461 (18)

0.0130 (16)

0.0040 (16)

−0.008 (2)

C7

0.2279 (5)

0.48759 (18)

1.11267 (11)

0.0532 (19)

0.0572 (19)

0.0415 (16)

0.0015 (14)

0.0021 (15)

0.0047 (15

C8

0.4168 (5)

0.50472 (15)

1.06849 (10)

0.0329 (15)

0.0430 (15)

0.0362 (14)

0.0021 (13)

−0.0100 (12)

0.0027 (13)

C9

0.5361 (4)

0.43165 (16)

1.03626 (11)

0.0434 (17)

0.0365 (14)

0.0405 (15)

0.0037 (12)

−0.0088 (14)

0.0003 (14)

C10

0.5065 (4)

0.60065 (15)

0.92809 (10)

0.0343 (15)

0.0379 (15)

0.0487 (15)

0.0003 (12)

0.0010 (14)

0.0041 (12)

C11

0.6267 (5)

0.57115 (18)

0.86612 (11)

0.0352 (16)

0.0499 (16)

0.0424 (16)

0.0131 (13)

−0.0018 (13)

0.0037 (14)

C12

0.8097 (5)

0.62776 (18)

0.83960 (13)

0.070 (2)

0.0546 (18)

0.0517 (18)

0.0077 (15)

0.0024 (17)

0.0060 (17)

C13

0.9401 (6)

0.6040 (2)

0.78348 (14)

0.072 (2)

0.079 (2)

0.072 (2)

0.0196 (19)

0.015 (2)

−0.006 (2)

C14

0.8826 (6)

0.5207 (2)

0.75400 (13)

0.086 (3)

0.089 (3)

0.052 (2)

0.0150 (19)

0.0189 (18)

0.017 (2)

C15

0.6279 (8)

0.3726 (2)

0.74698 (14)

0.130 (4)

0.072 (3)

0.055 (2)

−0.0045 (19)

−0.013 (2)

0.025 (3)

C16

0.4433 (8)

0.3140 (2)

0.76954 (16)

0.153 (4)

0.065 (3)

0.068 (3)

−0.017 (2)

−0.051 (3)

0.006 (3)

C17

0.3085 (6)

0.3379 (2)

0.82452 (16)

0.102 (3)

0.059 (2)

0.080 (2)

0.008 (2)

−0.029 (2)

−0.013 (2)

C18

0.3668 (5)

0.4208 (2)

0.85596 (12)

0.063 (2)

0.0572 (18)

0.0581 (19)

0.0022 (16)

−0.0108 (16)

−0.0009 (18)

C19

0.5598 (5)

0.48349 (17)

0.83433 (11)

0.0458 (18)

0.0465 (16)

0.0407 (16)

0.0073 (14)

−0.0018 (14)

0.0080 (15)

C20

0.6924 (6)

0.4587 (2)

0.77761 (12)

0.078 (2)

0.056 (2)

0.0398 (17)

0.0006 (15)

−0.0094 (18)

0.0185 (18)