sync: add rawdata/all_randomized_cifs/1e9.cif from GitHub

rawdata/all_randomized_cifs/1e9.cif

@@ -0,0 +1,36 @@
+# generated using pymatgen
+data_Li3SbS3
+_symmetry_space_group_name_H-M   Pna2_1
+_cell_length_a   7.96710000
+_cell_length_b   6.78830000
+_cell_length_c   10.09120000
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   33
+_chemical_formula_structural   Li3SbS3
+_chemical_formula_sum   'Li12 Sb4 S12'
+_cell_volume   545.76302482
+_cell_formula_units_Z   4
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+  2  '-x, -y, z+1/2'
+  3  '-x+1/2, y+1/2, z+1/2'
+  4  'x+1/2, -y+1/2, z'
+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  0.06095002  0.92738595  0.77438381  1.0
+  Li  Li1  4  0.06941981  0.65843722  0.32474485  1.0
+  Li  Li2  4  0.22325680  0.65136694  0.62221357  1.0
+  Sb  Sb3  4  0.24941728  0.60233393  0.98979862  1.0
+  S  S4  4  0.02518006  0.88287564  0.52191993  1.0
+  S  S5  4  0.14840265  0.31378749  0.31734769  1.0
+  S  S6  4  0.18955754  0.30092291  0.68702844  1.0