# generated using pymatgen data_Pa5P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.53999325 _cell_length_b 12.53999346 _cell_length_c 3.92236090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000205 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa5P12Ru19 _chemical_formula_sum 'Pa5 P12 Ru19' _cell_volume 534.16175075 _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 Pa Pa0 1 0.18922724 0.18922724 0.50000000 1.0 Pa Pa1 1 0.81077276 1.00000000 0.50000000 1.0 Pa Pa2 1 1.00000000 0.81077276 0.50000000 1.0 Pa Pa3 1 0.33333300 0.66666700 0.00000000 1.0 Pa Pa4 1 0.66666700 0.33333300 0.00000000 1.0 P P5 1 0.81709387 0.81709387 0.00000000 1.0 P P6 1 0.18290613 0.00000000 0.00000000 1.0 P P7 1 0.00000000 0.18290613 0.00000000 1.0 P P8 1 0.17049358 0.47709946 0.50000000 1.0 P P9 1 0.52290054 0.69339412 0.50000000 1.0 P P10 1 0.30660588 0.82950642 0.50000000 1.0 P P11 1 0.69339412 0.52290054 0.50000000 1.0 P P12 1 0.82950642 0.30660588 0.50000000 1.0 P P13 1 0.47709946 0.17049358 0.50000000 1.0 P P14 1 0.37317069 0.37317069 0.00000000 1.0 P P15 1 0.62682931 1.00000000 0.00000000 1.0 P P16 1 1.00000000 0.62682931 0.00000000 1.0 Ru Ru17 1 0.55495881 0.55495881 0.00000000 1.0 Ru Ru18 1 0.44504119 0.00000000 0.00000000 1.0 Ru Ru19 1 0.00000000 0.44504119 0.00000000 1.0 Ru Ru20 1 0.71756181 0.71756181 0.50000000 1.0 Ru Ru21 1 0.28243819 0.00000000 0.50000000 1.0 Ru Ru22 1 0.00000000 0.28243819 0.50000000 1.0 Ru Ru23 1 0.18315210 0.37470135 0.00000000 1.0 Ru Ru24 1 0.62529865 0.80845075 0.00000000 1.0 Ru Ru25 1 0.19154925 0.81684790 0.00000000 1.0 Ru Ru26 1 0.80845075 0.62529865 0.00000000 1.0 Ru Ru27 1 0.81684790 0.19154925 0.00000000 1.0 Ru Ru28 1 0.37470135 0.18315210 0.00000000 1.0 Ru Ru29 1 0.36593902 0.49437249 0.50000000 1.0 Ru Ru30 1 0.50562751 0.87156652 0.50000000 1.0 Ru Ru31 1 0.12843348 0.63406098 0.50000000 1.0 Ru Ru32 1 0.87156652 0.50562751 0.50000000 1.0 Ru Ru33 1 0.63406098 0.12843348 0.50000000 1.0 Ru Ru34 1 0.49437249 0.36593902 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0