Move data from easyscience/data/diffraction/ to data/

Author: AndrewSazonov

data/ed-1.cif

@@ -0,0 +1,25 @@
+ data_lbco
+
+ _space_group.IT_coordinate_system_code  1
+ _space_group.name_H-M_alt  "P m -3 m"
+
+ _cell.angle_alpha  90
+ _cell.angle_beta  90
+ _cell.length_a  3.88(1)
+ _cell.length_b  3.88
+ _cell.length_c  3.88
+
+ loop_
+ _atom_site.ADP_type
+ _atom_site.B_iso_or_equiv
+ _atom_site.fract_x
+ _atom_site.fract_y
+ _atom_site.fract_z
+ _atom_site.label
+ _atom_site.occupancy
+ _atom_site.type_symbol
+ _atom_site.Wyckoff_letter
+ Biso 0.5(1) 0.0 0.0 0.0 La 0.5 La a
+ Biso 0.5(1) 0.0 0.0 0.0 Ba 0.5 Ba a
+ Biso 0.5(1) 0.5 0.5 0.5 Co 1.0 Co b
+ Biso 0.5(1) 0.0 0.5 0.5 O 1.0 O c