# generated using pymatgen data_CoNCl4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94859000 _cell_length_b 9.19083700 _cell_length_c 11.94536200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoNCl4O3 _chemical_formula_sum 'Co4 N4 Cl16 O12' _cell_volume 982.44668078 _cell_formula_units_Z 4 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 0.17482400 0.75000000 0.59579100 1.0 Co Co1 1 0.32517600 0.25000000 0.09579100 1.0 Co Co2 1 0.67482400 0.75000000 0.90420900 1.0 Co Co3 1 0.82517600 0.25000000 0.40420900 1.0 N N4 1 0.15881900 0.25000000 0.77405900 1.0 N N5 1 0.34118100 0.75000000 0.27405900 1.0 N N6 1 0.65881900 0.25000000 0.72594100 1.0 N N7 1 0.84118100 0.75000000 0.22594100 1.0 Cl Cl8 1 0.02680200 0.25000000 0.49915900 1.0 Cl Cl9 1 0.12467700 0.75000000 0.76950700 1.0 Cl Cl10 1 0.19681500 0.43729400 0.05544800 1.0 Cl Cl11 1 0.19681500 0.06270600 0.05544800 1.0 Cl Cl12 1 0.30318500 0.56270600 0.55544800 1.0 Cl Cl13 1 0.30318500 0.93729400 0.55544800 1.0 Cl Cl14 1 0.37532300 0.25000000 0.26950700 1.0 Cl Cl15 1 0.47319800 0.75000000 0.99915900 1.0 Cl Cl16 1 0.52680200 0.25000000 0.00084100 1.0 Cl Cl17 1 0.62467700 0.75000000 0.73049300 1.0 Cl Cl18 1 0.69681500 0.06270600 0.44455200 1.0 Cl Cl19 1 0.69681500 0.43729400 0.44455200 1.0 Cl Cl20 1 0.80318500 0.56270600 0.94455200 1.0 Cl Cl21 1 0.80318500 0.93729400 0.94455200 1.0 Cl Cl22 1 0.87532300 0.25000000 0.23049300 1.0 Cl Cl23 1 0.97319800 0.75000000 0.50084100 1.0 O O24 1 0.09370300 0.13169900 0.79245100 1.0 O O25 1 0.09370300 0.36830100 0.79245100 1.0 O O26 1 0.20995400 0.75000000 0.23741100 1.0 O O27 1 0.29004600 0.25000000 0.73741100 1.0 O O28 1 0.40629700 0.63169900 0.29245100 1.0 O O29 1 0.40629700 0.86830100 0.29245100 1.0 O O30 1 0.59370300 0.13169900 0.70754900 1.0 O O31 1 0.59370300 0.36830100 0.70754900 1.0 O O32 1 0.70995400 0.75000000 0.26258900 1.0 O O33 1 0.79004600 0.25000000 0.76258900 1.0 O O34 1 0.90629700 0.63169900 0.20754900 1.0 O O35 1 0.90629700 0.86830100 0.20754900 1.0