# generated using pymatgen data_Zr2Fe2F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23271879 _cell_length_b 9.83581429 _cell_length_c 8.35328769 _cell_angle_alpha 74.41100265 _cell_angle_beta 71.57606943 _cell_angle_gamma 53.68201690 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Fe2F3 _chemical_formula_sum 'Zr4 Fe4 F6' _cell_volume 264.33032232 _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 Zr Zr0 1 0.44906600 0.18798800 0.31201200 1.0 Zr Zr1 1 0.57184900 0.21591400 0.70517300 1.0 Zr Zr2 1 0.41402400 0.79482700 0.28408600 1.0 Zr Zr3 1 0.48322400 0.83969400 0.66030600 1.0 Fe Fe4 1 0.99841300 0.97715400 0.99771900 1.0 Fe Fe5 1 0.82459500 0.54827400 0.95172600 1.0 Fe Fe6 1 0.04135200 0.05396500 0.44603500 1.0 Fe Fe7 1 0.94815900 0.50228100 0.52284600 1.0 F F8 1 0.23491100 0.38838500 0.11161500 1.0 F F9 1 0.32844800 0.59854100 0.35581600 1.0 F F10 1 0.23716300 0.14418400 0.90145900 1.0 F F11 1 0.60331800 0.41699700 0.70499600 1.0 F F12 1 0.84730400 0.79500400 0.08300300 1.0 F F13 1 0.01817300 0.78479400 0.71520600 1.0