sync: add rawdata/all_randomized_cifs/97b.cif from GitHub

rawdata/all_randomized_cifs/97b.cif

@@ -0,0 +1,61 @@
+# generated using pymatgen
+data_Li3.6Zr0.4Sc3.6O8
+_symmetry_space_group_name_H-M   I4_1/amd
+_cell_length_a   4.18040000
+_cell_length_b   4.18040000
+_cell_length_c   9.41860000
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   141
+_chemical_formula_structural   Li3.6Zr0.4Sc3.6O8
+_chemical_formula_sum   'Li3.6 Zr0.4 Sc3.6 O8'
+_cell_volume   164.59704395
+_cell_formula_units_Z   1
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+  2  '-y, x+1/2, z+1/4'
+  3  '-x+1/2, -y+1/2, z+1/2'
+  4  'y+1/2, -x, z+3/4'
+  5  'x, -y+1/2, -z+1/4'
+  6  '-y, -x, -z'
+  7  '-x+1/2, y, -z+3/4'
+  8  'y+1/2, x+1/2, -z+1/2'
+  9  '-x, -y+1/2, -z+1/4'
+  10  'y, -x, -z'
+  11  'x+1/2, y, -z+3/4'
+  12  '-y+1/2, x+1/2, -z+1/2'
+  13  '-x, y, z'
+  14  'y, x+1/2, z+1/4'
+  15  'x+1/2, -y+1/2, z+1/2'
+  16  '-y+1/2, -x, z+3/4'
+  17  'x+1/2, y+1/2, z+1/2'
+  18  '-y+1/2, x, z+3/4'
+  19  '-x, -y, z'
+  20  'y, -x+1/2, z+1/4'
+  21  'x+1/2, -y, -z+3/4'
+  22  '-y+1/2, -x+1/2, -z+1/2'
+  23  '-x, y+1/2, -z+1/4'
+  24  'y, x, -z'
+  25  '-x+1/2, -y, -z+3/4'
+  26  'y+1/2, -x+1/2, -z+1/2'
+  27  'x, y+1/2, -z+1/4'
+  28  '-y, x, -z'
+  29  '-x+1/2, y+1/2, z+1/2'
+  30  'y+1/2, x, z+3/4'
+  31  'x, -y, z'
+  32  '-y, -x+1/2, z+1/4'
+loop_
+ _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
+  Li  Li0  4  0.00000000  0.00000000  0.50000000  0.9
+  Sc  Sc1  4  0.00000000  0.00000000  0.00000000  0.9
+  Zr  Zr2  4  0.00000000  0.00000000  0.00000000  0.1
+  O  O3  8  0.00000000  0.00000000  0.21622536  1.0