# generated using pymatgen data_Pr5Zr3(As3Pd4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.53851223 _cell_length_b 13.53851232 _cell_length_c 4.16390032 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000459 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5Zr3(As3Pd4)4 _chemical_formula_sum 'Pr5 Zr3 As12 Pd16' _cell_volume 660.95641462 _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 Pr Pr0 1 0.19072603 0.19072603 0.50000000 1.0 Pr Pr1 1 0.80927397 1.00000000 0.50000000 1.0 Pr Pr2 1 1.00000000 0.80927397 0.50000000 1.0 Pr Pr3 1 0.33333300 0.66666700 0.00000000 1.0 Pr Pr4 1 0.66666700 0.33333300 0.00000000 1.0 Zr Zr5 1 0.55948618 0.55948618 0.00000000 1.0 Zr Zr6 1 0.44051382 1.00000000 0.00000000 1.0 Zr Zr7 1 1.00000000 0.44051382 0.00000000 1.0 As As8 1 0.82397070 0.82397070 0.00000000 1.0 As As9 1 0.17602930 1.00000000 0.00000000 1.0 As As10 1 1.00000000 0.17602930 0.00000000 1.0 As As11 1 0.16575925 0.47950535 0.50000000 1.0 As As12 1 0.52049465 0.68625390 0.50000000 1.0 As As13 1 0.31374610 0.83424075 0.50000000 1.0 As As14 1 0.68625390 0.52049465 0.50000000 1.0 As As15 1 0.83424075 0.31374610 0.50000000 1.0 As As16 1 0.47950535 0.16575925 0.50000000 1.0 As As17 1 0.36241082 0.36241082 0.00000000 1.0 As As18 1 0.63758918 1.00000000 0.00000000 1.0 As As19 1 1.00000000 0.63758918 0.00000000 1.0 Pd Pd20 1 0.72442894 0.72442894 0.50000000 1.0 Pd Pd21 1 0.27557106 0.00000000 0.50000000 1.0 Pd Pd22 1 0.00000000 0.27557106 0.50000000 1.0 Pd Pd23 1 0.18391150 0.37888770 0.00000000 1.0 Pd Pd24 1 0.62111230 0.80502381 0.00000000 1.0 Pd Pd25 1 0.19497619 0.81608850 0.00000000 1.0 Pd Pd26 1 0.80502381 0.62111230 0.00000000 1.0 Pd Pd27 1 0.81608850 0.19497619 0.00000000 1.0 Pd Pd28 1 0.37888770 0.18391150 0.00000000 1.0 Pd Pd29 1 0.36099725 0.48641381 0.50000000 1.0 Pd Pd30 1 0.51358619 0.87458344 0.50000000 1.0 Pd Pd31 1 0.12541656 0.63900275 0.50000000 1.0 Pd Pd32 1 0.87458344 0.51358619 0.50000000 1.0 Pd Pd33 1 0.63900275 0.12541656 0.50000000 1.0 Pd Pd34 1 0.48641381 0.36099725 0.50000000 1.0 Pd Pd35 1 0.00000000 0.00000000 0.00000000 1.0