# generated using pymatgen data_Nd9YC4I15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.72281611 _cell_length_b 10.59411080 _cell_length_c 11.68165587 _cell_angle_alpha 93.51053233 _cell_angle_beta 114.11861443 _cell_angle_gamma 109.70750215 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd9YC4I15 _chemical_formula_sum 'Nd9 Y1 C4 I15' _cell_volume 1005.77566864 _cell_formula_units_Z 1 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 0.34407401 0.74403567 0.16346104 1.0 Nd Nd1 1 0.77657868 0.88325741 0.25747616 1.0 Nd Nd2 1 0.52853630 0.18531428 0.10414588 1.0 Nd Nd3 1 0.22402263 0.11597336 0.74298039 1.0 Nd Nd4 1 0.40438617 0.46092764 0.65728838 1.0 Nd Nd5 1 0.47341938 0.81416557 0.89751318 1.0 Nd Nd6 1 0.70430385 0.56768894 0.04441090 1.0 Nd Nd7 1 0.29657125 0.43202347 0.95590533 1.0 Nd Nd8 1 0.65562340 0.25593607 0.83355103 1.0 Y Y9 1 0.59287844 0.54260613 0.33786638 1.0 C C10 1 0.48322822 0.30014883 0.93860953 1.0 C C11 1 0.51871379 0.69867496 0.06256656 1.0 C C12 1 0.45386826 0.36354673 0.83405016 1.0 C C13 1 0.54687093 0.63548987 0.16752162 1.0 I I14 1 0.20645257 0.90472628 0.93699558 1.0 I I15 1 0.10269091 0.18853574 0.46620118 1.0 I I16 1 0.15124036 0.55521398 0.70240879 1.0 I I17 1 0.40588759 0.96880394 0.64635051 1.0 I I18 1 0.71716703 0.73785492 0.82073765 1.0 I I19 1 0.29143097 0.26929286 0.18510490 1.0 I I20 1 0.84251961 0.44728544 0.30283311 1.0 I I21 1 0.88744192 0.80272789 0.52964957 1.0 I I22 1 0.36215597 0.62742359 0.41261881 1.0 I I23 1 0.05483782 0.83402316 0.22072980 1.0 I I24 1 0.79486913 0.09684967 0.06322585 1.0 I I25 1 0.64228989 0.37461051 0.58130177 1.0 I I26 1 0.94632719 0.16504192 0.78035933 1.0 I I27 1 0.59236387 0.02867786 0.35365372 1.0 I I28 1 0.99924885 0.49914131 0.00048089 1.0