# generated using pymatgen data_FeS2NO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89555972 _cell_length_b 4.89555972 _cell_length_c 16.71673000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999619 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeS2NO8 _chemical_formula_sum 'Fe2 S4 N2 O16' _cell_volume 346.96581009 _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 Fe Fe0 1 0.66666700 0.33333300 0.59720800 1.0 Fe Fe1 1 0.33333300 0.66666700 0.09720800 1.0 S S2 1 0.00000000 0.00000000 0.49622900 1.0 S S3 1 0.00000000 0.00000000 0.99622900 1.0 S S4 1 0.66666700 0.33333300 0.19993300 1.0 S S5 1 0.33333300 0.66666700 0.69993300 1.0 N N6 1 0.33333300 0.66666700 0.35223800 1.0 N N7 1 0.66666700 0.33333300 0.85223800 1.0 O O8 1 0.00000000 0.00000000 0.40874800 1.0 O O9 1 0.00000000 0.00000000 0.90874800 1.0 O O10 1 0.96515100 0.26797900 0.52682500 1.0 O O11 1 0.73202100 0.69717200 0.52682500 1.0 O O12 1 0.30282800 0.03484900 0.52682500 1.0 O O13 1 0.03484900 0.73202100 0.02682500 1.0 O O14 1 0.26797900 0.30282800 0.02682500 1.0 O O15 1 0.69717200 0.96515100 0.02682500 1.0 O O16 1 0.66666700 0.33333300 0.28724700 1.0 O O17 1 0.33333300 0.66666700 0.78724700 1.0 O O18 1 0.40621600 0.02595300 0.16941400 1.0 O O19 1 0.97404700 0.38026300 0.16941400 1.0 O O20 1 0.61973700 0.59378400 0.16941400 1.0 O O21 1 0.59378400 0.97404700 0.66941400 1.0 O O22 1 0.02595300 0.61973700 0.66941400 1.0 O O23 1 0.38026300 0.40621600 0.66941400 1.0