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--- papers [2019/03/04 14:04] – janettate
+++ papers [2019/03/04 14:05] – janettate
@@ Line 76: / Line 76: @@
 Here is some of the text from a CIF file describing anatase TiO2:
-''_atom_site_label
+''_atom_site_label''
-_atom_site_type_symbol
+''_atom_site_type_symbol''
-_atom_site_fract_x
-_atom_site_fract_y
+''_atom_site_fract_x''
-_atom_site_fract_z
-_atom_site_occupancy
+''_atom_site_fract_y''
-_atom_site_U_iso_or_equiv
-Ti1 Ti+4 0 0 0 1 0.0
+''_atom_site_fract_z''
-O1 O-2 0.2821 0.2821 0 1 0.0''
+''_atom_site_occupancy''
+''_atom_site_U_iso_or_equiv''
+''Ti1 Ti+4 0 0 0 1 0.0''
+''O1 O-2 0.2821 0.2821 0 1 0.0''
 Translating the above code into english: “There is a Ti atom at (x,y,z) = (0,0,0) and an O atom at (0.2821a, 0.2821b, 0), where a and b are unit cell dimensions.

Trace: