# generated using pymatgen data_Ca5Si11GeIr19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.79193827 _cell_length_b 12.76645546 _cell_length_c 4.00107019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.06606182 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Si11GeIr19 _chemical_formula_sum 'Ca5 Si11 Ge1 Ir19' _cell_volume 565.48879520 _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 0.00076502 0.18250751 0.50000000 1.0 Ca Ca1 1 0.81825651 0.81749249 0.50000000 1.0 Ca Ca2 1 0.18330347 1.00000000 0.50000000 1.0 Ca Ca3 1 0.66634705 0.33418277 0.00000000 1.0 Ca Ca4 1 0.33216329 0.66581723 0.00000000 1.0 Si Si5 1 0.47972700 0.31223524 0.50000000 1.0 Si Si6 1 0.18567000 0.18396540 0.00000000 1.0 Si Si7 1 0.00170461 0.81603460 0.00000000 1.0 Si Si8 1 0.37020251 0.00000000 0.00000000 1.0 Si Si9 1 0.68767173 0.16891086 0.50000000 1.0 Si Si10 1 0.83168211 0.52100035 0.50000000 1.0 Si Si11 1 0.51876187 0.83108914 0.50000000 1.0 Si Si12 1 0.16749276 0.68776476 0.50000000 1.0 Si Si13 1 0.31068277 0.47899965 0.50000000 1.0 Si Si14 1 0.99949305 0.36998702 0.00000000 1.0 Si Si15 1 0.62950604 0.63001298 0.00000000 1.0 Ge Ge16 1 0.82029465 1.00000000 0.00000000 1.0 Ir Ir17 1 0.80395467 0.18643239 0.00000000 1.0 Ir Ir18 1 0.38006883 0.19551486 0.00000000 1.0 Ir Ir19 1 0.63853450 0.51354790 0.50000000 1.0 Ir Ir20 1 0.87390470 0.36272456 0.50000000 1.0 Ir Ir21 1 0.36113452 0.87428064 0.50000000 1.0 Ir Ir22 1 0.51118013 0.63727544 0.50000000 1.0 Ir Ir23 1 0.12498760 0.48645210 0.50000000 1.0 Ir Ir24 1 0.81608322 0.62181530 0.00000000 1.0 Ir Ir25 1 0.61752328 0.81356761 0.00000000 1.0 Ir Ir26 1 0.18455597 0.80448514 0.00000000 1.0 Ir Ir27 1 0.19426892 0.37818470 0.00000000 1.0 Ir Ir28 1 0.00024764 0.71605887 0.50000000 1.0 Ir Ir29 1 0.28418777 0.28394113 0.50000000 1.0 Ir Ir30 1 0.71209634 0.00000000 0.50000000 1.0 Ir Ir31 1 0.00019325 0.55339687 0.00000000 1.0 Ir Ir32 1 0.44679638 0.44660313 0.00000000 1.0 Ir Ir33 1 0.55265095 1.00000000 0.00000000 1.0 Ir Ir34 1 0.00705200 1.00000000 0.00000000 1.0 Ir Ir35 1 0.48685388 0.12571936 0.50000000 1.0