XYZ 格式的文本文件在化学中很常见。这些可以是非常大的纯文本文件，其中包含许多原子的坐标序列。这是一个两帧的示例，但一般来说可能有一百万个：
9
This is always a comment line
O -0.47895617997126 -2.66640293337835 -1.49681666046534
H 0.44977991701355 -2.60732102342602 -1.12187699450036
H -0.47021693081323 -3.17753067276769 -2.30844425585481
O 1.77621192889291 -0.57453626042269 2.55501382514084
H 1.89122710803544 -0.41488971167761 3.50755810540804
H 1.63216983845037 0.32650413720929 2.13442202830578
O 2.09888701915665 -2.00704728106228 -0.54677363666735
H 1.97657049717652 -1.12593867861129 -0.98496874845379
H 2.42388964325074 -1.74615001969454 0.33580032962549
[there might be new lines here but everything before the next frame is ignored]
9
Again, always a comment line
O -0.46951624407696 -2.67861471918262 -1.48616321880993
H 0.4349320578306 -2.59324562286125 -1.15158631652204
H -0.50124399561371 -3.21321032298656 -2.30894245367388
O 1.77946051665009 -0.57508897951565 …