# generated using pymatgen data_Fe4As3O23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.91633900 _cell_length_b 7.91633900 _cell_length_c 7.91633900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe4As3O23 _chemical_formula_sum 'Fe4 As3 O23' _cell_volume 496.10448235 _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 Fe Fe0 1 0.86459600 0.86459600 0.13540400 1.0 Fe Fe1 1 0.86459600 0.13540400 0.86459600 1.0 Fe Fe2 1 0.13540400 0.86459600 0.86459600 1.0 Fe Fe3 1 0.13540400 0.13540400 0.13540400 1.0 As As4 1 0.00000000 0.00000000 0.50000000 1.0 As As5 1 0.00000000 0.50000000 0.00000000 1.0 As As6 1 0.50000000 0.00000000 0.00000000 1.0 O O7 1 0.62114500 0.87239100 0.12760900 1.0 O O8 1 0.87239100 0.87239100 0.37885500 1.0 O O9 1 0.87239100 0.62114500 0.12760900 1.0 O O10 1 0.62114500 0.12760900 0.87239100 1.0 O O11 1 0.87239100 0.12760900 0.62114500 1.0 O O12 1 0.87239100 0.37885500 0.87239100 1.0 O O13 1 0.37885500 0.87239100 0.87239100 1.0 O O14 1 0.12760900 0.87239100 0.62114500 1.0 O O15 1 0.12760900 0.62114500 0.87239100 1.0 O O16 1 0.37885500 0.12760900 0.12760900 1.0 O O17 1 0.12760900 0.12760900 0.37885500 1.0 O O18 1 0.12760900 0.37885500 0.12760900 1.0 O O19 1 0.11554300 0.11554300 0.88445700 1.0 O O20 1 0.11554300 0.88445700 0.11554300 1.0 O O21 1 0.88445700 0.11554300 0.11554300 1.0 O O22 1 0.88445700 0.88445700 0.88445700 1.0 O O23 1 0.50000000 0.50000000 0.00000000 1.0 O O24 1 0.50000000 0.00000000 0.50000000 1.0 O O25 1 0.00000000 0.50000000 0.50000000 1.0 O O26 1 0.35190000 0.35190000 0.64810000 1.0 O O27 1 0.35190000 0.64810000 0.35190000 1.0 O O28 1 0.64810000 0.35190000 0.35190000 1.0 O O29 1 0.64810000 0.64810000 0.64810000 1.0