Backend/COD_ICSD_XYZs_POMs_unique99/4080975_0_0.9rscale.xyz

37

Se  2.19443 1.06274 -1.36151
Se  2.31646 1.771 1.83626
Fe  1.62684 -0.154698 0.634946
Fe  3.91151 0.926248 0.280151
P   -0.592713 -0.148704 0.959959
O   1.93096 -2.5418 -1.00928
O   2.37748 -1.73206 2.96019
O   5.06177 -1.16717 -1.39857
O   5.45115 0.21196 2.66397
O   5.71301 3.0745 -0.593194
C   1.76753 -1.59526 -0.374548
C   2.05213 -1.11472 2.05349
C   4.6146 -0.348591 -0.731647
C   4.84422 0.468187 1.7326
C   4.96389 2.2817 -0.243131
C   -1.45578 1.34445 0.373854
C   -1.46441 1.60442 -0.99639
H   -1.06769 0.982138 -1.59475
C   -2.03792 2.7519 -1.49225
H   -2.0584 2.90758 -2.42979
C   -2.58448 3.67806 -0.625932
H   -2.96503 4.4794 -0.967126
C   -2.58017 3.44506 0.736217
H   -2.95964 4.08383 1.32835
C   -2.02498 2.2835 1.23641
H   -2.03037 2.12242 2.17309
C   -1.51292 -1.513 0.169547
C   -2.68043 -1.34293 -0.579904
H   -3.03833 -0.472808 -0.709996
C   -3.31538 -2.44021 -1.13112
H   -4.10342 -2.31584 -1.64608
C   -2.81734 -3.71085 -0.942469
H   -3.25825 -4.45705 -1.33225
C   -1.67247 -3.9004 -0.183312
H   -1.33397 -4.77621 -0.0400798
C   -1.02888 -2.80762 0.363646
H   -0.243 -2.93917 0.880649