# generated using pymatgen data_Gd2Fe2I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97781035 _cell_length_b 3.97781053 _cell_length_c 17.34530094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999839 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd2Fe2I _chemical_formula_sum 'Gd4 Fe4 I2' _cell_volume 237.68438164 _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 Gd Gd0 1 0.00000000 0.00000000 0.39422398 1.0 Gd Gd1 1 0.00000000 0.00000000 0.10577602 1.0 Gd Gd2 1 0.00000000 0.00000000 0.60577602 1.0 Gd Gd3 1 0.00000000 0.00000000 0.89422398 1.0 Fe Fe4 1 0.66666700 0.33333300 0.99442533 1.0 Fe Fe5 1 0.33333300 0.66666700 0.49442533 1.0 Fe Fe6 1 0.66666700 0.33333300 0.50557467 1.0 Fe Fe7 1 0.33333300 0.66666700 0.00557467 1.0 I I8 1 0.66666700 0.33333300 0.25000000 1.0 I I9 1 0.33333300 0.66666700 0.75000000 1.0