# generated using pymatgen data_Pr4Sm6C4Cl15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80728715 _cell_length_b 9.79869719 _cell_length_c 10.60316143 _cell_angle_alpha 70.20490082 _cell_angle_beta 66.60241640 _cell_angle_gamma 70.60007818 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4Sm6C4Cl15 _chemical_formula_sum 'Pr4 Sm6 C4 Cl15' _cell_volume 769.20227157 _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 0.34498965 0.75662119 0.82569212 1.0 Pr Pr1 1 0.65501035 0.24337881 0.17430788 1.0 Pr Pr2 1 0.17796466 0.42761569 0.04629512 1.0 Pr Pr3 1 0.82203534 0.57238431 0.95370488 1.0 Sm Sm4 1 0.08077163 0.17715246 0.88267110 1.0 Sm Sm5 1 0.91922837 0.82284754 0.11732890 1.0 Sm Sm6 1 0.24618496 0.54393464 0.63399037 1.0 Sm Sm7 1 0.75381504 0.45606536 0.36600963 1.0 Sm Sm8 1 0.03289528 0.09612491 0.26823995 1.0 Sm Sm9 1 0.96710472 0.90387509 0.73176005 1.0 C C10 1 0.87855916 0.35437587 0.17893657 1.0 C C11 1 0.12144084 0.64562413 0.82106343 1.0 C C12 1 0.95653314 0.28920577 0.06245020 1.0 C C13 1 0.04346686 0.71079423 0.93754980 1.0 Cl Cl14 1 0.50000000 0.50000000 0.00000000 1.0 Cl Cl15 1 0.12646139 0.81762429 0.47109002 1.0 Cl Cl16 1 0.87353861 0.18237571 0.52890998 1.0 Cl Cl17 1 0.24512091 0.03028824 0.64586911 1.0 Cl Cl18 1 0.75487909 0.96971176 0.35413089 1.0 Cl Cl19 1 0.33295555 0.16101693 0.22378808 1.0 Cl Cl20 1 0.66704445 0.83898307 0.77621192 1.0 Cl Cl21 1 0.45627803 0.37596982 0.41440625 1.0 Cl Cl22 1 0.54372197 0.62403018 0.58559375 1.0 Cl Cl23 1 0.95895775 0.43824633 0.69982824 1.0 Cl Cl24 1 0.04104225 0.56175367 0.30017176 1.0 Cl Cl25 1 0.22576590 0.91152539 0.06203455 1.0 Cl Cl26 1 0.77423410 0.08847461 0.93796545 1.0 Cl Cl27 1 0.37626045 0.27599130 0.80687688 1.0 Cl Cl28 1 0.62373955 0.72400870 0.19312312 1.0