# generated using pymatgen data_CoS2(NO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.00640100 _cell_length_b 6.44812300 _cell_length_c 9.85734658 _cell_angle_alpha 77.42462383 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoS2(NO7)2 _chemical_formula_sum 'Co2 S4 N4 O28' _cell_volume 744.83596576 _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 Co Co0 1 0.50000000 0.00000000 0.50000000 1.0 Co Co1 1 0.00000000 0.00000000 0.00000000 1.0 S S2 1 0.33206200 0.76099300 0.05890100 1.0 S S3 1 0.83206200 0.23900700 0.44109900 1.0 S S4 1 0.66793800 0.23900700 0.94109900 1.0 S S5 1 0.16793800 0.76099300 0.55890100 1.0 N N6 1 0.38852900 0.38620000 0.82455300 1.0 N N7 1 0.88852900 0.61380000 0.67544700 1.0 N N8 1 0.61147100 0.61380000 0.17544700 1.0 N N9 1 0.11147100 0.38620000 0.32455300 1.0 O O10 1 0.53256500 0.60799300 0.23917400 1.0 O O11 1 0.03256500 0.39200700 0.26082600 1.0 O O12 1 0.46743500 0.39200700 0.76082600 1.0 O O13 1 0.96743500 0.60799300 0.73917400 1.0 O O14 1 0.45943100 0.73664500 0.48436500 1.0 O O15 1 0.95943100 0.26335500 0.01563500 1.0 O O16 1 0.54056900 0.26335500 0.51563500 1.0 O O17 1 0.04056900 0.73664500 0.98436500 1.0 O O18 1 0.32047500 0.94006500 0.12236100 1.0 O O19 1 0.82047500 0.05993500 0.37763900 1.0 O O20 1 0.67952500 0.05993500 0.87763900 1.0 O O21 1 0.17952500 0.94006500 0.62236100 1.0 O O22 1 0.26870500 0.56965000 0.10756300 1.0 O O23 1 0.76870500 0.43035000 0.39243700 1.0 O O24 1 0.73129500 0.43035000 0.89243700 1.0 O O25 1 0.23129500 0.56965000 0.60756300 1.0 O O26 1 0.40972600 0.77064000 0.94569400 1.0 O O27 1 0.90972600 0.22936000 0.55430600 1.0 O O28 1 0.59027400 0.22936000 0.05430600 1.0 O O29 1 0.09027400 0.77064000 0.44569400 1.0 O O30 1 0.42905500 0.15849100 0.35787600 1.0 O O31 1 0.92905500 0.84150900 0.14212400 1.0 O O32 1 0.57094500 0.84150900 0.64212400 1.0 O O33 1 0.07094500 0.15849100 0.85787600 1.0 O O34 1 0.42356600 0.05953800 0.64455100 1.0 O O35 1 0.92356600 0.94046200 0.85544900 1.0 O O36 1 0.57643400 0.94046200 0.35544900 1.0 O O37 1 0.07643400 0.05953800 0.14455100 1.0