Expand description
CIF (Crystallographic Information File) import and export.
Supports reading and writing CIF 1.1 format for crystal structures:
- Cell parameters (
_cell_length_a,_cell_angle_alpha, etc.) - Space group (
_symmetry_space_group_name_H-M,_symmetry_Int_Tables_number) - Atom sites (
_atom_site_label,_atom_site_fract_x/y/z,_atom_site_type_symbol)
Structs§
- CifAtom
Site - A single atom site from a CIF file.
- CifStructure
- A parsed CIF crystal structure.