# generated using pymatgen data_ZrPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65168429 _cell_length_b 5.65168433 _cell_length_c 9.27798234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99944350 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPd3 _chemical_formula_sum 'Zr4 Pd12' _cell_volume 256.65066795 _cell_formula_units_Z 4 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 0.66666600 0.33333400 0.75000000 1.0 Zr Zr1 1 0.33333400 0.66666600 0.25000000 1.0 Zr Zr2 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr3 1 -0.00000000 -0.00000000 -0.00000000 1.0 Pd Pd4 1 0.50000000 0.50000000 -0.00000000 1.0 Pd Pd5 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd6 1 0.83025473 0.66050946 0.25000100 1.0 Pd Pd7 1 0.16974527 0.83025473 0.74999900 1.0 Pd Pd8 1 0.66050946 0.83025473 0.74999900 1.0 Pd Pd9 1 0.33949054 0.16974527 0.25000100 1.0 Pd Pd10 1 0.83025473 0.16974527 0.25000100 1.0 Pd Pd11 1 0.16974527 0.33949054 0.74999900 1.0 Pd Pd12 1 -0.00000000 0.50000000 -0.00000000 1.0 Pd Pd13 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd14 1 0.50000000 0.50000000 0.50000000 1.0 Pd Pd15 1 0.50000000 -0.00000000 -0.00000000 1.0