The cif file obtained from materialsproject is as followed:
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.333333 0.666667 0.250000 1
B B1 1 0.666667 0.333333 0.750000 1
N N2 1 0.333333 0.666667 0.750000 1
N N3 1 0.666667 0.333333 0.250000 1
I am wondering whether it is possible to replace the “B0 B1 N2 N3” into their corresponding charge states?
Thanks very much!