# generated using pymatgen data_Ca6Ac14(Ga3Pb)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37794840 _cell_length_b 8.36944508 _cell_length_c 15.66974674 _cell_angle_alpha 90.18700592 _cell_angle_beta 89.91973688 _cell_angle_gamma 90.56790276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Ac14(Ga3Pb)3 _chemical_formula_sum 'Ca6 Ac14 Ga9 Pb3' _cell_volume 1098.68265679 _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 Ca Ca0 1 0.32623629 0.16630211 0.88826054 1.0 Ca Ca1 1 0.82688798 0.66871052 0.38474110 1.0 Ca Ca2 1 0.49688990 0.49552402 0.76208898 1.0 Ca Ca3 1 0.99587394 0.99510973 0.25659283 1.0 Ca Ca4 1 0.00534742 0.00379172 0.75594660 1.0 Ca Ca5 1 0.50360306 0.50370873 0.24701645 1.0 Ac Ac6 1 0.67911377 0.16965495 0.10636265 1.0 Ac Ac7 1 0.17448916 0.67425472 0.61109186 1.0 Ac Ac8 1 0.31684796 0.83180570 0.10780736 1.0 Ac Ac9 1 0.82365692 0.32689598 0.61063605 1.0 Ac Ac10 1 0.83104451 0.67854642 0.10885421 1.0 Ac Ac11 1 0.32974979 0.17224142 0.61191496 1.0 Ac Ac12 1 0.16768460 0.31933368 0.10847853 1.0 Ac Ac13 1 0.67195745 0.82804824 0.61115983 1.0 Ac Ac14 1 0.83581680 0.32204823 0.89202784 1.0 Ac Ac15 1 0.33090559 0.82707381 0.38971873 1.0 Ac Ac16 1 0.16712064 0.67840259 0.89307686 1.0 Ac Ac17 1 0.66964658 0.17335930 0.38905809 1.0 Ac Ac18 1 0.67697025 0.83087124 0.89174741 1.0 Ac Ac19 1 0.17423981 0.32863440 0.38906111 1.0 Ga Ga20 1 0.61580867 0.11859623 0.75273873 1.0 Ga Ga21 1 0.11611862 0.61684740 0.25065973 1.0 Ga Ga22 1 0.88184203 0.38578666 0.25152440 1.0 Ga Ga23 1 0.38314655 0.88363925 0.75253221 1.0 Ga Ga24 1 0.88334078 0.61749478 0.74988616 1.0 Ga Ga25 1 0.38326674 0.11712872 0.24815060 1.0 Ga Ga26 1 0.11905793 0.38388664 0.74822337 1.0 Ga Ga27 1 0.61521792 0.88288506 0.24575871 1.0 Ga Ga28 1 0.00262994 0.00517422 0.99601907 1.0 Pb Pb29 1 0.50579923 0.50626643 0.49632771 1.0 Pb Pb30 1 0.49476858 0.49496261 0.99750230 1.0 Pb Pb31 1 0.99491961 0.99301448 0.49503401 1.0