diff --git a/pymatgen/io/cif.py b/pymatgen/io/cif.py index b7ee6b062db..4fee11dc927 100644 --- a/pymatgen/io/cif.py +++ b/pymatgen/io/cif.py @@ -2,6 +2,7 @@ from __future__ import annotations +import copy import math import os import re @@ -1355,7 +1356,9 @@ def __init__( if symprec is None: for site in struct: for sp, occu in sorted(site.species.items()): - atom_site_type_symbol.append(str(sp)) + sp_no_prop = copy.deepcopy(sp) + sp_no_prop._properties = {} + atom_site_type_symbol.append(str(sp_no_prop)) atom_site_symmetry_multiplicity.append("1") atom_site_fract_x.append(format_str.format(site.a)) atom_site_fract_y.append(format_str.format(site.b)) @@ -1403,7 +1406,9 @@ def __init__( ), ): for sp, occu in site.species.items(): - atom_site_type_symbol.append(str(sp)) + sp_no_prop = copy.deepcopy(sp) + sp_no_prop._properties = {} + atom_site_type_symbol.append(str(sp_no_prop)) atom_site_symmetry_multiplicity.append(f"{mult}") atom_site_fract_x.append(format_str.format(site.a)) atom_site_fract_y.append(format_str.format(site.b))