# generated using pymatgen data_Pr10Al2I15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.10019159 _cell_length_b 10.93024471 _cell_length_c 11.93782858 _cell_angle_alpha 90.88633309 _cell_angle_beta 114.81333911 _cell_angle_gamma 110.94016370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr10Al2I15 _chemical_formula_sum 'Pr10 Al2 I15' _cell_volume 1095.74579098 _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 0.80619299 0.41736093 0.28240294 1.0 Pr Pr1 1 0.19380701 0.58263907 0.71759706 1.0 Pr Pr2 1 0.67914590 0.74089986 0.82008160 1.0 Pr Pr3 1 0.32085410 0.25910014 0.17991840 1.0 Pr Pr4 1 0.52706984 0.69632011 0.10327386 1.0 Pr Pr5 1 0.47293016 0.30367989 0.89672614 1.0 Pr Pr6 1 0.58735394 0.03681604 0.33374008 1.0 Pr Pr7 1 0.41264606 0.96318396 0.66625992 1.0 Pr Pr8 1 0.74449957 0.08277527 0.05436807 1.0 Pr Pr9 1 0.25550043 0.91722473 0.94563193 1.0 Al Al10 1 0.46957468 0.82593381 0.88260210 1.0 Al Al11 1 0.53042532 0.17406619 0.11739790 1.0 I I12 1 0.00000000 0.00000000 0.00000000 1.0 I I13 1 0.64229675 0.88380153 0.58369854 1.0 I I14 1 0.35770325 0.11619847 0.41630146 1.0 I I15 1 0.88758025 0.29740692 0.53253276 1.0 I I16 1 0.11241975 0.70259308 0.46746724 1.0 I I17 1 0.28753843 0.75806392 0.18149150 1.0 I I18 1 0.71246157 0.24193608 0.81850850 1.0 I I19 1 0.06638967 0.35187461 0.23432609 1.0 I I20 1 0.16044484 0.05851463 0.69857884 1.0 I I21 1 0.83955516 0.94148537 0.30142116 1.0 I I22 1 0.22665516 0.40820437 0.94130826 1.0 I I23 1 0.77334484 0.59179563 0.05869174 1.0 I I24 1 0.40562329 0.45977049 0.65073783 1.0 I I25 1 0.59437671 0.54022951 0.34926217 1.0 I I26 1 0.93361033 0.64812539 0.76567391 1.0