# generated using pymatgen data_CoH2(SN)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.94511900 _cell_length_b 8.81505400 _cell_length_c 13.02930679 _cell_angle_alpha 85.77913908 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoH2(SN)4 _chemical_formula_sum 'Co8 H16 S32 N32' _cell_volume 1940.93679454 _cell_formula_units_Z 8 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 0.37847800 0.30033400 0.89275700 1.0 Co Co1 1 0.87847800 0.19966600 0.10724300 1.0 Co Co2 1 0.62152200 0.69966600 0.10724300 1.0 Co Co3 1 0.12152200 0.80033400 0.89275700 1.0 Co Co4 1 0.36537700 0.92035200 0.37406200 1.0 Co Co5 1 0.86537700 0.57964800 0.62593800 1.0 Co Co6 1 0.63462300 0.07964800 0.62593800 1.0 Co Co7 1 0.13462300 0.42035200 0.37406200 1.0 H H8 1 0.35357400 0.20960800 0.67812200 1.0 H H9 1 0.85357400 0.29039200 0.32187800 1.0 H H10 1 0.64642600 0.79039200 0.32187800 1.0 H H11 1 0.14642600 0.70960800 0.67812200 1.0 H H12 1 0.31589900 0.87506400 0.27883100 1.0 H H13 1 0.81589900 0.62493600 0.72116900 1.0 H H14 1 0.68410100 0.12493600 0.72116900 1.0 H H15 1 0.18410100 0.37506400 0.27883100 1.0 H H16 1 0.46317700 0.28794100 0.91192700 1.0 H H17 1 0.96317700 0.21205900 0.08807300 1.0 H H18 1 0.53682300 0.71205900 0.08807300 1.0 H H19 1 0.03682300 0.78794100 0.91192700 1.0 H H20 1 0.31980300 0.97045800 0.06755600 1.0 H H21 1 0.81980300 0.52954200 0.93244400 1.0 H H22 1 0.68019700 0.02954200 0.93244400 1.0 H H23 1 0.18019700 0.47045800 0.06755600 1.0 S S24 1 0.39206600 0.52891100 0.91973900 1.0 S S25 1 0.89206600 0.97108900 0.08026100 1.0 S S26 1 0.60793400 0.47108900 0.08026100 1.0 S S27 1 0.10793400 0.02891100 0.91973900 1.0 S S28 1 0.37563700 0.52274600 0.71375500 1.0 S S29 1 0.87563700 0.97725400 0.28624500 1.0 S S30 1 0.62436300 0.47725400 0.28624500 1.0 S S31 1 0.12436300 0.02274600 0.71375500 1.0 S S32 1 0.36237500 0.22855400 0.05276200 1.0 S S33 1 0.86237500 0.27144600 0.94723800 1.0 S S34 1 0.63762500 0.77144600 0.94723800 1.0 S S35 1 0.13762500 0.72855400 0.05276200 1.0 S S36 1 0.34880700 0.05505900 0.89089600 1.0 S S37 1 0.84880700 0.44494100 0.10910400 1.0 S S38 1 0.65119300 0.94494100 0.10910400 1.0 S S39 1 0.15119300 0.55505900 0.89089600 1.0 S S40 1 0.30277700 0.91265100 0.51181000 1.0 S S41 1 0.80277700 0.58734900 0.48819000 1.0 S S42 1 0.69722300 0.08734900 0.48819000 1.0 S S43 1 0.19722300 0.41265100 0.51181000 1.0 S S44 1 0.38923900 0.15523900 0.37676300 1.0 S S45 1 0.88923900 0.34476100 0.62323700 1.0 S S46 1 0.61076100 0.84476100 0.62323700 1.0 S S47 1 0.11076100 0.65523900 0.37676300 1.0 S S48 1 0.42713600 0.60886700 0.35370300 1.0 S S49 1 0.92713600 0.89113300 0.64629700 1.0 S S50 1 0.57286400 0.39113300 0.64629700 1.0 S S51 1 0.07286400 0.10886700 0.35370300 1.0 S S52 1 0.31929000 0.69118100 0.18641900 1.0 S S53 1 0.81929000 0.80881900 0.81358100 1.0 S S54 1 0.68071000 0.30881900 0.81358100 1.0 S S55 1 0.18071000 0.19118100 0.18641900 1.0 N N56 1 0.37014200 0.35015000 0.75441900 1.0 N N57 1 0.87014200 0.14985000 0.24558100 1.0 N N58 1 0.62985800 0.64985000 0.24558100 1.0 N N59 1 0.12985800 0.85015000 0.75441900 1.0 N N60 1 0.38965700 0.62684800 0.80824700 1.0 N N61 1 0.88965700 0.87315200 0.19175300 1.0 N N62 1 0.61034300 0.37315200 0.19175300 1.0 N N63 1 0.11034300 0.12684800 0.80824700 1.0 N N64 1 0.46407600 0.23961300 0.35622200 1.0 N N65 1 0.96407600 0.26038700 0.64377800 1.0 N N66 1 0.53592400 0.76038700 0.64377800 1.0 N N67 1 0.03592400 0.73961300 0.35622200 1.0 N N68 1 0.34313400 0.05529900 0.01829800 1.0 N N69 1 0.84313400 0.44470100 0.98170200 1.0 N N70 1 0.65686600 0.94470100 0.98170200 1.0 N N71 1 0.15686600 0.55529900 0.01829800 1.0 N N72 1 0.33751300 0.09675400 0.65569000 1.0 N N73 1 0.83751300 0.40324600 0.34431000 1.0 N N74 1 0.66248700 0.90324600 0.34431000 1.0 N N75 1 0.16248700 0.59675400 0.65569000 1.0 N N76 1 0.33696300 0.08779700 0.56275700 1.0 N N77 1 0.83696300 0.41220300 0.43724300 1.0 N N78 1 0.66303700 0.91220300 0.43724300 1.0 N N79 1 0.16303700 0.58779700 0.56275700 1.0 N N80 1 0.43599300 0.78048200 0.37237500 1.0 N N81 1 0.93599300 0.71951800 0.62762500 1.0 N N82 1 0.56400700 0.21951800 0.62762500 1.0 N N83 1 0.06400700 0.28048200 0.37237500 1.0 N N84 1 0.37492300 0.57371900 0.25015200 1.0 N N85 1 0.87492300 0.92628100 0.74984800 1.0 N N86 1 0.62507700 0.42628100 0.74984800 1.0 N N87 1 0.12507700 0.07371900 0.25015200 1.0