# generated using pymatgen data_Pr12C6I17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.91008363 _cell_length_b 11.91008363 _cell_length_c 19.44568692 _cell_angle_alpha 89.24069160 _cell_angle_beta 89.24069160 _cell_angle_gamma 64.18540848 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr12C6I17 _chemical_formula_sum 'Pr24 C12 I34' _cell_volume 2482.80489512 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 '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 Pr Pr0 1 0.71276334 0.29498779 0.02073077 1.0 Pr Pr1 1 0.70501221 0.28723666 0.47926923 1.0 Pr Pr2 1 0.28723666 0.70501221 0.97926923 1.0 Pr Pr3 1 0.29498779 0.71276334 0.52073077 1.0 Pr Pr4 1 0.53386936 0.54975941 0.12790906 1.0 Pr Pr5 1 0.45024059 0.46613064 0.37209094 1.0 Pr Pr6 1 0.46613064 0.45024059 0.87209094 1.0 Pr Pr7 1 0.54975941 0.53386936 0.62790906 1.0 Pr Pr8 1 0.90098771 0.42632304 0.11649286 1.0 Pr Pr9 1 0.57367696 0.09901229 0.38350714 1.0 Pr Pr10 1 0.09901229 0.57367696 0.88350714 1.0 Pr Pr11 1 0.42632304 0.90098771 0.61649286 1.0 Pr Pr12 1 0.64164440 0.64275920 0.94916598 1.0 Pr Pr13 1 0.35724080 0.35835560 0.55083402 1.0 Pr Pr14 1 0.35835560 0.35724080 0.05083402 1.0 Pr Pr15 1 0.64275920 0.64164440 0.44916598 1.0 Pr Pr16 1 0.02110203 0.07557370 0.15204907 1.0 Pr Pr17 1 0.92442630 0.97889797 0.34795093 1.0 Pr Pr18 1 0.97889797 0.92442630 0.84795093 1.0 Pr Pr19 1 0.07557370 0.02110203 0.65204907 1.0 Pr Pr20 1 0.80832839 0.33882972 0.28809734 1.0 Pr Pr21 1 0.66117028 0.19167161 0.21190266 1.0 Pr Pr22 1 0.19167161 0.66117028 0.71190266 1.0 Pr Pr23 1 0.33882972 0.80832839 0.78809734 1.0 C C24 1 0.72154790 0.36685452 0.14913375 1.0 C C25 1 0.63314548 0.27845210 0.35086625 1.0 C C26 1 0.27845210 0.63314548 0.85086625 1.0 C C27 1 0.36685452 0.72154790 0.64913375 1.0 C C28 1 0.83240523 0.25715174 0.15201103 1.0 C C29 1 0.74284826 0.16759477 0.34798897 1.0 C C30 1 0.16759477 0.74284826 0.84798897 1.0 C C31 1 0.25715174 0.83240523 0.65201103 1.0 C C32 1 0.53293718 0.53224888 0.98824907 1.0 C C33 1 0.46775112 0.46706282 0.51175093 1.0 C C34 1 0.46706282 0.46775112 0.01175093 1.0 C C35 1 0.53224888 0.53293718 0.48824907 1.0 I I36 1 0.18369060 0.20990699 0.10041123 1.0 I I37 1 0.79009301 0.81630940 0.39958877 1.0 I I38 1 0.81630940 0.79009301 0.89958877 1.0 I I39 1 0.20990699 0.18369060 0.60041123 1.0 I I40 1 0.28187762 0.80680681 0.13934311 1.0 I I41 1 0.19319319 0.71812238 0.36065689 1.0 I I42 1 0.71812238 0.19319319 0.86065689 1.0 I I43 1 0.80680681 0.28187762 0.63934311 1.0 I I44 1 0.00000000 -0.00000000 -0.00000000 1.0 I I45 1 0.00000000 -0.00000000 0.50000000 1.0 I I46 1 0.89801696 0.39570846 0.44008864 1.0 I I47 1 0.60429154 0.10198304 0.05991136 1.0 I I48 1 0.10198304 0.60429154 0.55991136 1.0 I I49 1 0.39570846 0.89801696 0.94008864 1.0 I I50 1 0.39796572 0.90789778 0.44981784 1.0 I I51 1 0.09210222 0.60203428 0.05018216 1.0 I I52 1 0.60203428 0.09210222 0.55018216 1.0 I I53 1 0.90789778 0.39796572 0.94981784 1.0 I I54 1 0.96624363 0.50295762 0.25392794 1.0 I I55 1 0.49704238 0.03375637 0.24607206 1.0 I I56 1 0.03375637 0.49704238 0.74607206 1.0 I I57 1 0.50295762 0.96624363 0.75392794 1.0 I I58 1 0.09550997 0.11273949 0.30279429 1.0 I I59 1 0.88726051 0.90449003 0.19720571 1.0 I I60 1 0.90449003 0.88726051 0.69720571 1.0 I I61 1 0.11273949 0.09550997 0.80279429 1.0 I I62 1 0.68878373 0.71283440 0.09980384 1.0 I I63 1 0.28716560 0.31121627 0.40019616 1.0 I I64 1 0.31121627 0.28716560 0.90019616 1.0 I I65 1 0.71283440 0.68878373 0.59980384 1.0 I I66 1 0.57486118 0.62795911 0.29131218 1.0 I I67 1 0.37204089 0.42513882 0.20868782 1.0 I I68 1 0.42513882 0.37204089 0.70868782 1.0 I I69 1 0.62795911 0.57486118 0.79131218 1.0