# generated using pymatgen data_Pr5Zr3(P3Pd4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.17899070 _cell_length_b 13.17898878 _cell_length_c 4.06277581 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000234 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5Zr3(P3Pd4)4 _chemical_formula_sum 'Pr5 Zr3 P12 Pd16' _cell_volume 611.10764776 _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 0.19095178 0.19095178 0.50000000 1.0 Pr Pr1 1 0.80904822 1.00000000 0.50000000 1.0 Pr Pr2 1 0.00000000 0.80904822 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 0.55784907 0.55784907 0.00000000 1.0 Zr Zr6 1 0.44215093 0.00000000 0.00000000 1.0 Zr Zr7 1 1.00000000 0.44215093 0.00000000 1.0 P P8 1 0.82486475 0.82486475 0.00000000 1.0 P P9 1 0.17513525 0.00000000 0.00000000 1.0 P P10 1 1.00000000 0.17513525 0.00000000 1.0 P P11 1 0.16415508 0.47656110 0.50000000 1.0 P P12 1 0.52343890 0.68759398 0.50000000 1.0 P P13 1 0.31240602 0.83584492 0.50000000 1.0 P P14 1 0.68759398 0.52343890 0.50000000 1.0 P P15 1 0.83584492 0.31240602 0.50000000 1.0 P P16 1 0.47656110 0.16415508 0.50000000 1.0 P P17 1 0.36309974 0.36309974 0.00000000 1.0 P P18 1 0.63690026 0.00000000 0.00000000 1.0 P P19 1 0.00000000 0.63690026 0.00000000 1.0 Pd Pd20 1 0.72689805 0.72689805 0.50000000 1.0 Pd Pd21 1 0.27310195 0.00000000 0.50000000 1.0 Pd Pd22 1 1.00000000 0.27310195 0.50000000 1.0 Pd Pd23 1 0.18641548 0.38004060 0.00000000 1.0 Pd Pd24 1 0.61995940 0.80637488 0.00000000 1.0 Pd Pd25 1 0.19362512 0.81358452 0.00000000 1.0 Pd Pd26 1 0.80637488 0.61995940 0.00000000 1.0 Pd Pd27 1 0.81358452 0.19362512 0.00000000 1.0 Pd Pd28 1 0.38004060 0.18641548 0.00000000 1.0 Pd Pd29 1 0.36238974 0.49096279 0.50000000 1.0 Pd Pd30 1 0.50903721 0.87142595 0.50000000 1.0 Pd Pd31 1 0.12857405 0.63761026 0.50000000 1.0 Pd Pd32 1 0.87142595 0.50903721 0.50000000 1.0 Pd Pd33 1 0.63761026 0.12857405 0.50000000 1.0 Pd Pd34 1 0.49096279 0.36238974 0.50000000 1.0 Pd Pd35 1 0.00000000 0.00000000 0.00000000 1.0