# generated using pymatgen data_Nd12C6I17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.82453593 _cell_length_b 11.82481250 _cell_length_c 19.29137367 _cell_angle_alpha 89.27178714 _cell_angle_beta 89.27613952 _cell_angle_gamma 64.22202321 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12C6I17 _chemical_formula_sum 'Nd24 C12 I34' _cell_volume 2428.67767945 _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 Nd Nd0 1 0.01985473 0.07634204 0.15218984 1.0 Nd Nd1 1 0.19258757 0.66080100 0.71195743 1.0 Nd Nd2 1 0.71119418 0.29597288 0.02123515 1.0 Nd Nd3 1 0.80741243 0.33919900 0.28804257 1.0 Nd Nd4 1 0.89944403 0.42559813 0.11677696 1.0 Nd Nd5 1 0.57439919 0.10052436 0.38324356 1.0 Nd Nd6 1 0.35768619 0.35815158 0.05072537 1.0 Nd Nd7 1 0.64231381 0.64184842 0.94927463 1.0 Nd Nd8 1 0.42560081 0.89947564 0.61675644 1.0 Nd Nd9 1 0.54990950 0.53321830 0.62751459 1.0 Nd Nd10 1 0.53322361 0.54988670 0.12751847 1.0 Nd Nd11 1 0.07636551 0.01985292 0.65218266 1.0 Nd Nd12 1 0.35820230 0.35764959 0.55075708 1.0 Nd Nd13 1 0.33921328 0.80742279 0.78803824 1.0 Nd Nd14 1 0.10055597 0.57440187 0.88322304 1.0 Nd Nd15 1 0.70403230 0.28879329 0.47877651 1.0 Nd Nd16 1 0.29596770 0.71120671 0.52122349 1.0 Nd Nd17 1 0.98014527 0.92365796 0.84781016 1.0 Nd Nd18 1 0.64179770 0.64235041 0.44924292 1.0 Nd Nd19 1 0.45009050 0.46678170 0.37248541 1.0 Nd Nd20 1 0.92363449 0.98014708 0.34781734 1.0 Nd Nd21 1 0.66078672 0.19257721 0.21196176 1.0 Nd Nd22 1 0.28880582 0.70402712 0.97876485 1.0 Nd Nd23 1 0.46677639 0.45011330 0.87248153 1.0 C C24 1 0.46768977 0.46651017 0.51184989 1.0 C C25 1 0.53347264 0.53233504 0.98815702 1.0 C C26 1 0.25684932 0.83178698 0.65214390 1.0 C C27 1 0.53231023 0.53348983 0.48815011 1.0 C C28 1 0.36771346 0.71990561 0.64922093 1.0 C C29 1 0.28008875 0.63231022 0.85076765 1.0 C C30 1 0.16821425 0.74317405 0.84784264 1.0 C C31 1 0.46652736 0.46766496 0.01184298 1.0 C C32 1 0.74315068 0.16821302 0.34785610 1.0 C C33 1 0.83178575 0.25682595 0.15215736 1.0 C C34 1 0.63228654 0.28009439 0.35077907 1.0 C C35 1 0.71991125 0.36768978 0.14923235 1.0 I I36 1 0.09268035 0.60287416 0.04958910 1.0 I I37 1 0.78913134 0.81706397 0.39864472 1.0 I I38 1 0.60298728 0.10279463 0.05983376 1.0 I I39 1 0.00000000 0.00000000 0.00000000 1.0 I I40 1 0.90731965 0.39712584 0.95041090 1.0 I I41 1 0.80738961 0.28102685 0.63899979 1.0 I I42 1 0.03373046 0.49714346 0.74635536 1.0 I I43 1 0.88688484 0.90463895 0.19705006 1.0 I I44 1 0.39704122 0.90740120 0.45029869 1.0 I I45 1 0.19261039 0.71897315 0.36100021 1.0 I I46 1 0.57496153 0.62868857 0.29138936 1.0 I I47 1 0.96626954 0.50285654 0.25364464 1.0 I I48 1 0.60295878 0.09259880 0.54970131 1.0 I I49 1 0.10279857 0.60301178 0.55981315 1.0 I I50 1 0.62862161 0.57501461 0.79141610 1.0 I I51 1 0.09534262 0.11316600 0.30292810 1.0 I I52 1 0.89720143 0.39698822 0.44018685 1.0 I I53 1 0.49709932 0.03375908 0.24636446 1.0 I I54 1 0.81706482 0.78914031 0.89865680 1.0 I I55 1 0.39701272 0.89720537 0.94016624 1.0 I I56 1 0.28104898 0.80733280 0.13897790 1.0 I I57 1 0.31078876 0.28766559 0.90019335 1.0 I I58 1 0.50290068 0.96624092 0.75363554 1.0 I I59 1 0.21086866 0.18293603 0.60135528 1.0 I I60 1 0.68921124 0.71233441 0.09980665 1.0 I I61 1 0.42503847 0.37131143 0.70861064 1.0 I I62 1 0.18293518 0.21085969 0.10134320 1.0 I I63 1 0.28766394 0.31078543 0.40021755 1.0 I I64 1 0.71895102 0.19266720 0.86102210 1.0 I I65 1 0.71233606 0.68921457 0.59978245 1.0 I I66 1 0.11311516 0.09536105 0.80294994 1.0 I I67 1 0.90465738 0.88683400 0.69707190 1.0 I I68 1 0.37137839 0.42498539 0.20858390 1.0 I I69 1 0.00000000 0.00000000 0.50000000 1.0