# generated using pymatgen data_Zr5P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.33617948 _cell_length_b 12.33617988 _cell_length_c 3.89417300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999893 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5P12Ru19 _chemical_formula_sum 'Zr5 P12 Ru19' _cell_volume 513.22434619 _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 Zr Zr0 1 0.19010604 0.19010604 0.50000000 1.0 Zr Zr1 1 0.80989396 0.00000000 0.50000000 1.0 Zr Zr2 1 0.00000000 0.80989396 0.50000000 1.0 Zr Zr3 1 0.33333300 0.66666700 0.00000000 1.0 Zr Zr4 1 0.66666700 0.33333300 0.00000000 1.0 P P5 1 0.81935978 0.81935978 0.00000000 1.0 P P6 1 0.18064022 0.00000000 0.00000000 1.0 P P7 1 1.00000000 0.18064022 0.00000000 1.0 P P8 1 0.17298720 0.47905480 0.50000000 1.0 P P9 1 0.52094520 0.69393340 0.50000000 1.0 P P10 1 0.30606660 0.82701280 0.50000000 1.0 P P11 1 0.69393340 0.52094520 0.50000000 1.0 P P12 1 0.82701280 0.30606660 0.50000000 1.0 P P13 1 0.47905480 0.17298720 0.50000000 1.0 P P14 1 0.37052333 0.37052333 0.00000000 1.0 P P15 1 0.62947667 0.00000000 0.00000000 1.0 P P16 1 0.00000000 0.62947667 0.00000000 1.0 Ru Ru17 1 0.55538263 0.55538263 0.00000000 1.0 Ru Ru18 1 0.44461737 0.00000000 0.00000000 1.0 Ru Ru19 1 1.00000000 0.44461737 0.00000000 1.0 Ru Ru20 1 0.72081084 0.72081084 0.50000000 1.0 Ru Ru21 1 0.27918916 0.00000000 0.50000000 1.0 Ru Ru22 1 1.00000000 0.27918916 0.50000000 1.0 Ru Ru23 1 0.18436599 0.37416053 0.00000000 1.0 Ru Ru24 1 0.62583947 0.81020546 0.00000000 1.0 Ru Ru25 1 0.18979454 0.81563401 0.00000000 1.0 Ru Ru26 1 0.81020546 0.62583947 0.00000000 1.0 Ru Ru27 1 0.81563401 0.18979454 0.00000000 1.0 Ru Ru28 1 0.37416053 0.18436599 0.00000000 1.0 Ru Ru29 1 0.36616728 0.49432204 0.50000000 1.0 Ru Ru30 1 0.50567796 0.87184524 0.50000000 1.0 Ru Ru31 1 0.12815476 0.63383272 0.50000000 1.0 Ru Ru32 1 0.87184524 0.50567796 0.50000000 1.0 Ru Ru33 1 0.63383272 0.12815476 0.50000000 1.0 Ru Ru34 1 0.49432204 0.36616728 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0