# generated using pymatgen data_Sr5(PPd)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14783691 _cell_length_b 8.72167298 _cell_length_c 19.39256424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr5(PPd)6 _chemical_formula_sum 'Sr10 P12 Pd12' _cell_volume 701.54689822 _cell_formula_units_Z 2 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 0.50000000 0.99430425 0.68403277 1.0 Sr Sr1 1 0.00000000 0.00051948 0.12854650 1.0 Sr Sr2 1 0.50000000 0.49430425 0.31596723 1.0 Sr Sr3 1 0.50000000 0.50569575 0.68403277 1.0 Sr Sr4 1 0.00000000 0.99948052 0.87145350 1.0 Sr Sr5 1 0.50000000 0.00569575 0.31596723 1.0 Sr Sr6 1 0.00000000 0.00000000 0.50000000 1.0 Sr Sr7 1 0.00000000 0.49948052 0.12854650 1.0 Sr Sr8 1 0.00000000 0.50051948 0.87145350 1.0 Sr Sr9 1 0.00000000 0.50000000 0.50000000 1.0 P P10 1 0.50000000 0.75000000 0.55831318 1.0 P P11 1 0.00000000 0.75000000 0.25554067 1.0 P P12 1 0.00000000 0.25000000 0.74445933 1.0 P P13 1 0.50000000 0.75000000 0.07172822 1.0 P P14 1 0.00000000 0.25000000 0.25297284 1.0 P P15 1 0.50000000 0.25000000 0.92827178 1.0 P P16 1 0.50000000 0.25000000 0.06854229 1.0 P P17 1 0.50000000 0.75000000 0.93145771 1.0 P P18 1 0.00000000 0.75000000 0.74702716 1.0 P P19 1 0.00000000 0.75000000 0.37217850 1.0 P P20 1 0.00000000 0.25000000 0.62782150 1.0 P P21 1 0.50000000 0.25000000 0.44168682 1.0 Pd Pd22 1 0.00000000 0.75000000 0.62239475 1.0 Pd Pd23 1 0.50000000 0.25000000 0.19125023 1.0 Pd Pd24 1 0.50000000 0.25000000 0.56688648 1.0 Pd Pd25 1 0.00000000 0.25000000 0.37760525 1.0 Pd Pd26 1 0.50000000 0.25000000 0.80386819 1.0 Pd Pd27 1 0.00000000 0.25000000 0.99884583 1.0 Pd Pd28 1 0.50000000 0.75000000 0.80874977 1.0 Pd Pd29 1 0.50000000 0.75000000 0.19613181 1.0 Pd Pd30 1 0.00000000 0.75000000 0.00115417 1.0 Pd Pd31 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd32 1 0.50000000 0.50000000 0.00000000 1.0 Pd Pd33 1 0.50000000 0.75000000 0.43311352 1.0