# generated using pymatgen data_ErLu4P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.39422194 _cell_length_b 12.39208130 _cell_length_c 3.94383606 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99428563 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErLu4P12Ru19 _chemical_formula_sum 'Er1 Lu4 P12 Ru19' _cell_volume 524.61174963 _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 Er Er0 1 1.00000000 0.81695012 0.50000000 1.0 Lu Lu1 1 0.18261433 0.18256433 0.50000000 1.0 Lu Lu2 1 0.81738567 0.99995000 0.50000000 1.0 Lu Lu3 1 0.33329622 0.66646039 0.00000000 1.0 Lu Lu4 1 0.66670378 0.33316417 0.00000000 1.0 P P5 1 0.81599180 0.81639530 0.00000000 1.0 P P6 1 0.18400820 0.00040350 0.00000000 1.0 P P7 1 1.00000000 0.18393940 0.00000000 1.0 P P8 1 0.17140091 0.47772957 0.50000000 1.0 P P9 1 0.52181448 0.69348408 0.50000000 1.0 P P10 1 0.30643464 0.82852879 0.50000000 1.0 P P11 1 0.69356536 0.52209416 0.50000000 1.0 P P12 1 0.82859909 0.30632866 0.50000000 1.0 P P13 1 0.47818552 0.17166960 0.50000000 1.0 P P14 1 0.37188753 0.37193870 0.00000000 1.0 P P15 1 0.62811247 0.00005017 0.00000000 1.0 P P16 1 0.00000000 0.62779915 0.00000000 1.0 Ru Ru17 1 0.55402513 0.55438741 0.00000000 1.0 Ru Ru18 1 0.44597487 0.00036228 0.00000000 1.0 Ru Ru19 1 0.00000000 0.44550017 0.00000000 1.0 Ru Ru20 1 0.71775191 0.71823094 0.50000000 1.0 Ru Ru21 1 0.28224809 0.00047903 0.50000000 1.0 Ru Ru22 1 1.00000000 0.28157799 0.50000000 1.0 Ru Ru23 1 0.18528274 0.37633698 0.00000000 1.0 Ru Ru24 1 0.62351129 0.80907387 0.00000000 1.0 Ru Ru25 1 0.19211478 0.81489709 0.00000000 1.0 Ru Ru26 1 0.80788522 0.62278231 0.00000000 1.0 Ru Ru27 1 0.81471726 0.19105424 0.00000000 1.0 Ru Ru28 1 0.37648871 0.18556258 0.00000000 1.0 Ru Ru29 1 0.36553568 0.49287909 0.50000000 1.0 Ru Ru30 1 0.50689903 0.87266028 0.50000000 1.0 Ru Ru31 1 0.12733225 0.63408885 0.50000000 1.0 Ru Ru32 1 0.87266775 0.50675559 0.50000000 1.0 Ru Ru33 1 0.63446432 0.12734241 0.50000000 1.0 Ru Ru34 1 0.49310097 0.36576024 0.50000000 1.0 Ru Ru35 1 1.00000000 0.00081758 0.00000000 1.0