diff --git a/tests/data/645688c7c139c6414b5c0b00.xyz b/tests/data/645688c7c139c6414b5c0b00.xyz
deleted file mode 100644
index 0f8d329..0000000
--- a/tests/data/645688c7c139c6414b5c0b00.xyz
+++ /dev/null
@@ -1,20 +0,0 @@
-18
-## STRUCTURE-ID: 645688c7c139c6414b5c0b00 ; CHARGE = -1; SPIN = 3
-I -1.4436121126949015 0.42029126592817107 -1.6632891671244727
-C -3.33580743801813 -0.15353604789979267 -0.7339542845183026
-H -3.1287423587721643 -0.9434022824024976 -0.01933696409311693
-H -3.9964207871651225 -0.4901283664418908 -1.5229488133526843
-H -3.7274422375299143 0.7217041183959343 -0.2282996045106841
-O 2.7223903943392993 0.8261760398398512 1.3050834155297588
-C 0.9888087204630703 -2.379094167649743 -0.5398992858009954
-H 1.6940986505047444 -3.152743685891341 -0.26448601467465105
-H 1.4948333510508294 -1.5155711156764566 -0.9595290502133175
-H 0.23509595271835407 -2.753118014964276 -1.2220792965839438
-H 3.6453537356643806 0.6064576399990429 1.069461740053683
-Rh 0.014459630959218359 0.9679146681456635 0.7456381302221328
-I -1.880589614365632 1.6750428531997783 2.5349367788411588
-I -0.030250731343837742 -1.749134256908 1.27855077077407
-O 2.4116878114136866 0.7236029720756493 -0.9162960476741423
-C 1.9293704614065443 0.9262914436358692 0.19859748723285423
-O 1.6398052199498723 3.5271918982221226 0.580225781514007
-C 0.766961351419702 2.742055038391913 0.35762442437864966