# generated using pymatgen data_CoS2(NO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.66147700 _cell_length_b 6.15486500 _cell_length_c 9.23990171 _cell_angle_alpha 69.40339996 _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 674.03649400 _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 0.50000000 0.50000000 1.0 Co Co1 1 0.00000000 0.50000000 0.00000000 1.0 S S2 1 0.39510500 0.71509900 0.92070200 1.0 S S3 1 0.60489500 0.28490100 0.07929800 1.0 S S4 1 0.89510500 0.28490100 0.57929800 1.0 S S5 1 0.10489500 0.71509900 0.42070200 1.0 N N6 1 0.71782300 0.86794300 0.78345600 1.0 N N7 1 0.28217700 0.13205700 0.21654400 1.0 N N8 1 0.21782300 0.13205700 0.71654400 1.0 N N9 1 0.78217700 0.86794300 0.28345600 1.0 O O10 1 0.44042900 0.86516600 0.77842000 1.0 O O11 1 0.55957100 0.13483400 0.22158000 1.0 O O12 1 0.94042900 0.13483400 0.72158000 1.0 O O13 1 0.05957100 0.86516600 0.27842000 1.0 O O14 1 0.43654700 0.76056900 0.49704800 1.0 O O15 1 0.56345300 0.23943100 0.50295200 1.0 O O16 1 0.93654700 0.23943100 0.00295200 1.0 O O17 1 0.06345300 0.76056900 0.99704800 1.0 O O18 1 0.40050300 0.38872700 0.64359000 1.0 O O19 1 0.59949700 0.61127300 0.35641000 1.0 O O20 1 0.90050300 0.61127300 0.85641000 1.0 O O21 1 0.09949700 0.38872700 0.14359000 1.0 O O22 1 0.10531700 0.78129600 0.55522700 1.0 O O23 1 0.89468300 0.21870400 0.44477300 1.0 O O24 1 0.60531700 0.21870400 0.94477300 1.0 O O25 1 0.39468300 0.78129600 0.05522700 1.0 O O26 1 0.35268500 0.49347300 0.93103700 1.0 O O27 1 0.64731500 0.50652700 0.06896300 1.0 O O28 1 0.85268500 0.50652700 0.56896300 1.0 O O29 1 0.14731500 0.49347300 0.43103700 1.0 O O30 1 0.10023700 0.41705800 0.89562800 1.0 O O31 1 0.89976300 0.58294200 0.10437200 1.0 O O32 1 0.60023700 0.58294200 0.60437200 1.0 O O33 1 0.39976300 0.41705800 0.39562800 1.0 O O34 1 0.21652900 0.98158800 0.83153700 1.0 O O35 1 0.78347100 0.01841200 0.16846300 1.0 O O36 1 0.71652900 0.01841200 0.66846300 1.0 O O37 1 0.28347100 0.98158800 0.33153700 1.0