The original code is written by @lan496 and taken from here: https://gist.github.com/lan496/3f60b6474750a6fd2b4237e820fbfea4
pip install -e git+https://github.com/resnant/crystalview.git#egg=crystalview
from crystalview.plot import plot3d
from pymatgen.core import Structure, Lattice
import numpy as np
# rutile structure taken from mp-2657
a = 4.653
c = 2.969
x_4f = 0.3046
lattice = Lattice.from_parameters(a, a, c, 90, 90, 90)
species = ["Ti", "Ti", "O", "O", "O", "O"]
frac_coords = np.array([
[0, 0, 0], # Ti(2a)
[0.5, 0.5, 0.5], # Ti(2a)
[x_4f, x_4f, 0], # O(4f)
[1 - x_4f, 1 - x_4f, 0], # O(4f)
[0.5 - x_4f, 0.5 + x_4f, 0.5], # O(4f)
[0.5 + x_4f, 0.5 - x_4f, 0.5], # O(4f)
])
structure = Structure(lattice, species, frac_coords)
plot3d(structure, spacefill=True)