# generated using pymatgen data_ZrPdF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78480064 _cell_length_b 5.78723487 _cell_length_c 5.78591764 _cell_angle_alpha 55.14977810 _cell_angle_beta 55.15514996 _cell_angle_gamma 55.13448113 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrPdF6 _chemical_formula_sum 'Zr1 Pd1 F6' _cell_volume 121.50927782 _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 Zr Zr0 1 0.50000000 0.50000000 0.50000000 1.0 Pd Pd1 1 0.00000000 -0.00000000 -0.00000000 1.0 F F2 1 0.60914941 0.25918223 0.87120844 1.0 F F3 1 0.25849741 0.87072036 0.60995159 1.0 F F4 1 0.12925386 0.39029942 0.74000621 1.0 F F5 1 0.74150259 0.12927964 0.39004841 1.0 F F6 1 0.39085059 0.74081777 0.12879156 1.0 F F7 1 0.87074614 0.60970058 0.25999379 1.0