# generated using pymatgen data_YFeCl2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02657082 _cell_length_b 9.02657082 _cell_length_c 11.01788627 _cell_angle_alpha 52.61722920 _cell_angle_beta 52.61722920 _cell_angle_gamma 22.24010373 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeCl2O3 _chemical_formula_sum 'Y2 Fe2 Cl4 O6' _cell_volume 266.92544233 _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 Y Y0 1 0.61404900 0.61404900 0.13600000 1.0 Y Y1 1 0.38595100 0.38595100 0.86400000 1.0 Fe Fe2 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe3 1 0.00000000 0.00000000 0.50000000 1.0 Cl Cl4 1 0.42177600 0.42177600 0.19976800 1.0 Cl Cl5 1 0.57822400 0.57822400 0.80023200 1.0 Cl Cl6 1 0.62384100 0.62384100 0.40088500 1.0 Cl Cl7 1 0.37615900 0.37615900 0.59911500 1.0 O O8 1 0.02727000 0.02727000 0.31433000 1.0 O O9 1 0.97273000 0.97273000 0.68567000 1.0 O O10 1 0.22786200 0.22786200 0.08219100 1.0 O O11 1 0.77213800 0.77213800 0.91780900 1.0 O O12 1 0.09545400 0.09545400 0.01460400 1.0 O O13 1 0.90454600 0.90454600 0.98539600 1.0