sync: add rawdata/all_randomized_cifs/472.cif from GitHub

rawdata/all_randomized_cifs/472.cif

@@ -0,0 +1,62 @@
+# generated using pymatgen
+data_Li14Nd5Si11N19O7F2
+_symmetry_space_group_name_H-M   Pmmn
+_cell_length_a   7.61550000
+_cell_length_b   17.12600000
+_cell_length_c   10.12300000
+_cell_angle_alpha   90.00000000
+_cell_angle_beta   90.00000000
+_cell_angle_gamma   90.00000000
+_symmetry_Int_Tables_number   59
+_chemical_formula_structural   Li14Nd5Si11N19O7F2
+_chemical_formula_sum   'Li28 Nd10 Si22 N38 O14 F4'
+_cell_volume   1320.27256552
+_cell_formula_units_Z   2
+loop_
+ _symmetry_equiv_pos_site_id
+ _symmetry_equiv_pos_as_xyz
+  1  'x, y, z'
+  2  '-x, -y, z'
+  3  'x+1/2, -y+1/2, -z'
+  4  '-x+1/2, y+1/2, -z'
+  5  '-x+1/2, -y+1/2, -z'
+  6  'x+1/2, y+1/2, -z'
+  7  '-x, y, z'
+  8  'x, -y, 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  8  0.15274029  0.41681036  0.96516920  1.0
+  Li  Li1  8  0.23993353  0.13054548  0.39285958  1.0
+  Li  Li2  4  0.00000000  0.10001581  0.52770543  1.0
+  Li  Li3  4  0.00000000  0.27653115  0.47528576  1.0
+  Li  Li4  4  0.00000000  0.31425667  0.73959689  1.0
+  Nd  Nd5  4  0.23007656  0.00000000  0.72925099  1.0
+  Nd  Nd6  4  0.25000000  0.25000000  0.00000000  1.0
+  Nd  Nd7  2  0.00000000  0.00000000  0.17178681  1.0
+  Si  Si8  8  0.20282986  0.18446462  0.68800344  1.0
+  Si  Si9  4  0.00000000  0.08869403  0.92030099  1.0
+  Si  Si10  4  0.00000000  0.16206205  0.22827538  1.0
+  Si  Si11  4  0.00000000  0.41125071  0.49795658  1.0
+  Si  Si12  2  0.00000000  0.50000000  0.72725806  1.0
+  N  N13  8  0.17898281  0.13576260  0.83055962  1.0
+  N  N14  8  0.18498968  0.20943385  0.24985192  1.0
+  N  N15  8  0.19615104  0.36582451  0.40769136  1.0
+  N  N16  4  0.00000000  0.16160436  0.08339992  1.0
+  N  N17  4  0.00000000  0.20803683  0.64767371  1.0
+  N  N18  4  0.00000000  0.41765910  0.64513451  1.0
+  N  N19  2  0.00000000  0.00000000  0.91259951  1.0
+  O  O20  4  0.00000000  0.11766841  0.32193433  1.0
+  O  O21  4  0.17317180  0.50000000  0.81982233  1.0
+  O  O22  2  0.00000000  0.50000000  0.40405968  1.0
+  O  O23  4  0.00000000  0.33038929  0.95029430  0.5
+  F  F24  4  0.00000000  0.33038929  0.95029430  0.5
+  O  O25  2  0.00000000  0.00000000  0.59679223  0.5
+  F  F26  2  0.00000000  0.00000000  0.59679223  0.5
+  O  O27  2  0.00000000  0.50000000  0.11937762  0.5
+  F  F28  2  0.00000000  0.50000000  0.11937762  0.5