# generated using pymatgen data_Sr5Zr3(As3Pd4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.62317796 _cell_length_b 13.62317769 _cell_length_c 4.18866946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000304 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5Zr3(As3Pd4)4 _chemical_formula_sum 'Sr5 Zr3 As12 Pd16' _cell_volume 673.23015345 _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 Sr Sr0 1 0.18811668 0.18811668 0.50000000 1.0 Sr Sr1 1 0.81188332 0.00000000 0.50000000 1.0 Sr Sr2 1 0.00000000 0.81188332 0.50000000 1.0 Sr Sr3 1 0.33333300 0.66666700 0.00000000 1.0 Sr Sr4 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr5 1 0.55823044 0.55823044 0.00000000 1.0 Zr Zr6 1 0.44176956 1.00000000 0.00000000 1.0 Zr Zr7 1 1.00000000 0.44176956 0.00000000 1.0 As As8 1 0.82221829 0.82221829 0.00000000 1.0 As As9 1 0.17778171 0.00000000 0.00000000 1.0 As As10 1 0.00000000 0.17778171 0.00000000 1.0 As As11 1 0.16274587 0.47681106 0.50000000 1.0 As As12 1 0.52318894 0.68593481 0.50000000 1.0 As As13 1 0.31406519 0.83725413 0.50000000 1.0 As As14 1 0.68593481 0.52318894 0.50000000 1.0 As As15 1 0.83725413 0.31406519 0.50000000 1.0 As As16 1 0.47681106 0.16274587 0.50000000 1.0 As As17 1 0.36354194 0.36354194 0.00000000 1.0 As As18 1 0.63645806 0.00000000 0.00000000 1.0 As As19 1 0.00000000 0.63645806 0.00000000 1.0 Pd Pd20 1 0.72264132 0.72264132 0.50000000 1.0 Pd Pd21 1 0.27735868 1.00000000 0.50000000 1.0 Pd Pd22 1 1.00000000 0.27735868 0.50000000 1.0 Pd Pd23 1 0.18691582 0.38267827 0.00000000 1.0 Pd Pd24 1 0.61732173 0.80423755 0.00000000 1.0 Pd Pd25 1 0.19576245 0.81308418 0.00000000 1.0 Pd Pd26 1 0.80423755 0.61732173 0.00000000 1.0 Pd Pd27 1 0.81308418 0.19576245 0.00000000 1.0 Pd Pd28 1 0.38267827 0.18691582 0.00000000 1.0 Pd Pd29 1 0.36067758 0.48614435 0.50000000 1.0 Pd Pd30 1 0.51385565 0.87453324 0.50000000 1.0 Pd Pd31 1 0.12546676 0.63932242 0.50000000 1.0 Pd Pd32 1 0.87453324 0.51385565 0.50000000 1.0 Pd Pd33 1 0.63932242 0.12546676 0.50000000 1.0 Pd Pd34 1 0.48614435 0.36067758 0.50000000 1.0 Pd Pd35 1 0.00000000 0.00000000 0.00000000 1.0