sync: add rawdata/all_randomized_cifs/13q.cif from GitHub

rawdata/all_randomized_cifs/13q.cif

@@ -0,0 +1,51 @@
+# generated using pymatgen
+data_Li10Sn(PS6)2
+_symmetry_space_group_name_H-M   P4_2/nmc
+_cell_length_a   8.73685000
+_cell_length_b   8.73685000
+_cell_length_c   12.75730000
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   137
+_chemical_formula_structural   Li10Sn(PS6)2
+_chemical_formula_sum   'Li20 Sn2 P4 S24'
+_cell_volume   973.79721361
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+  2  '-y+1/2, x+1/2, z+1/2'
+  3  '-x, -y, z'
+  4  'y+1/2, -x+1/2, z+1/2'
+  5  'x+1/2, -y+1/2, -z+1/2'
+  6  '-y, -x, -z'
+  7  '-x+1/2, y+1/2, -z+1/2'
+  8  'y, x, -z'
+  9  '-x+1/2, -y+1/2, -z+1/2'
+  10  'y, -x, -z'
+  11  'x+1/2, y+1/2, -z+1/2'
+  12  '-y, x, -z'
+  13  '-x, y, z'
+  14  'y+1/2, x+1/2, z+1/2'
+  15  'x, -y, z'
+  16  '-y+1/2, -x+1/2, z+1/2'
+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  0.25100000  0.68
+  Li  Li1  16  0.23700000  0.25200000  0.80310000  0.5
+  Li  Li2  8  0.00000000  0.47600000  0.55500000  0.54
+  Li  Li3  8  0.24600000  0.24600000  0.50000000  0.62
+  Sn  Sn4  4  0.00000000  0.50000000  0.31164000  0.5
+  P  P5  4  0.00000000  0.50000000  0.31164000  0.5
+  P  P6  2  0.00000000  0.00000000  0.00000000  1.0
+  S  S7  8  0.00000000  0.18700000  0.09100000  1.0
+  S  S8  8  0.00000000  0.28980000  0.40570000  1.0
+  S  S9  8  0.00000000  0.29690000  0.70770000  1.0