# generated using pymatgen data_Pr10C4I15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.80140903 _cell_length_b 10.69893063 _cell_length_c 11.81164412 _cell_angle_alpha 93.68393888 _cell_angle_beta 114.32409936 _cell_angle_gamma 109.40548942 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr10C4I15 _chemical_formula_sum 'Pr10 C4 I15' _cell_volume 1034.99887745 _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 Pr Pr0 1 0.59715298 0.54037096 0.34303899 1.0 Pr Pr1 1 0.34327344 0.74515698 0.16449533 1.0 Pr Pr2 1 0.77797440 0.88478956 0.25779639 1.0 Pr Pr3 1 0.52866557 0.18599103 0.10372061 1.0 Pr Pr4 1 0.22202560 0.11521044 0.74220361 1.0 Pr Pr5 1 0.40284702 0.45962904 0.65696101 1.0 Pr Pr6 1 0.47133443 0.81400897 0.89627939 1.0 Pr Pr7 1 0.70513791 0.56777048 0.04458213 1.0 Pr Pr8 1 0.29486209 0.43222952 0.95541787 1.0 Pr Pr9 1 0.65672656 0.25484302 0.83550467 1.0 C C10 1 0.48224071 0.30065743 0.93783125 1.0 C C11 1 0.51775929 0.69934257 0.06216875 1.0 C C12 1 0.45298054 0.36274675 0.83433192 1.0 C C13 1 0.54701946 0.63725325 0.16566808 1.0 I I14 1 0.20592342 0.90550944 0.93740419 1.0 I I15 1 0.10273512 0.18792647 0.46681033 1.0 I I16 1 0.14926357 0.55470479 0.70151517 1.0 I I17 1 0.40777321 0.96973918 0.64765874 1.0 I I18 1 0.71609321 0.73578814 0.82107118 1.0 I I19 1 0.28390679 0.26421186 0.17892882 1.0 I I20 1 0.85073643 0.44529521 0.29848483 1.0 I I21 1 0.89726488 0.81207353 0.53318967 1.0 I I22 1 0.35867306 0.63085800 0.41424856 1.0 I I23 1 0.05453773 0.83400708 0.21975780 1.0 I I24 1 0.79407658 0.09449056 0.06259581 1.0 I I25 1 0.64132694 0.36914200 0.58575144 1.0 I I26 1 0.94546227 0.16599292 0.78024220 1.0 I I27 1 0.59222679 0.03026082 0.35234126 1.0 I I28 1 0.00000000 0.50000000 0.00000000 1.0