# generated using pymatgen data_Ca4Pr16(Ga3Pb)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.10599986 _cell_length_b 8.10599986 _cell_length_c 14.53671472 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Pr16(Ga3Pb)3 _chemical_formula_sum 'Ca4 Pr16 Ga9 Pb3' _cell_volume 955.16731241 _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 0.50000000 0.50000000 0.75684072 1.0 Ca Ca1 1 0.00000000 0.00000000 0.24768100 1.0 Ca Ca2 1 0.00000000 0.00000000 0.75231900 1.0 Ca Ca3 1 0.50000000 0.50000000 0.24315928 1.0 Pr Pr4 1 0.67676866 0.16622342 0.10380947 1.0 Pr Pr5 1 0.17006216 0.66890827 0.60834381 1.0 Pr Pr6 1 0.32323134 0.83377658 0.10380947 1.0 Pr Pr7 1 0.82993784 0.33109173 0.60834381 1.0 Pr Pr8 1 0.83377658 0.67676866 0.10380947 1.0 Pr Pr9 1 0.33109173 0.17006216 0.60834381 1.0 Pr Pr10 1 0.16622342 0.32323134 0.10380947 1.0 Pr Pr11 1 0.66890827 0.82993784 0.60834381 1.0 Pr Pr12 1 0.83377658 0.32323134 0.89619053 1.0 Pr Pr13 1 0.33109173 0.82993784 0.39165619 1.0 Pr Pr14 1 0.16622342 0.67676866 0.89619053 1.0 Pr Pr15 1 0.66890827 0.17006216 0.39165619 1.0 Pr Pr16 1 0.67676866 0.83377658 0.89619053 1.0 Pr Pr17 1 0.17006216 0.33109173 0.39165619 1.0 Pr Pr18 1 0.32323134 0.16622342 0.89619053 1.0 Pr Pr19 1 0.82993784 0.66890827 0.39165619 1.0 Ga Ga20 1 0.61743891 0.11782484 0.75101480 1.0 Ga Ga21 1 0.11782484 0.61743891 0.24898520 1.0 Ga Ga22 1 0.88217516 0.38256109 0.24898520 1.0 Ga Ga23 1 0.38256109 0.88217516 0.75101480 1.0 Ga Ga24 1 0.88217516 0.61743891 0.75101480 1.0 Ga Ga25 1 0.38256109 0.11782484 0.24898520 1.0 Ga Ga26 1 0.11782484 0.38256109 0.75101480 1.0 Ga Ga27 1 0.61743891 0.88217516 0.24898520 1.0 Ga Ga28 1 0.00000000 0.00000000 0.00000000 1.0 Pb Pb29 1 0.50000000 0.50000000 0.50000000 1.0 Pb Pb30 1 0.50000000 0.50000000 0.00000000 1.0 Pb Pb31 1 0.00000000 0.00000000 0.50000000 1.0