# generated using pymatgen data_Cr19S30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88119700 _cell_length_b 10.38517009 _cell_length_c 10.69941643 _cell_angle_alpha 80.73425532 _cell_angle_beta 72.50428734 _cell_angle_gamma 67.08327383 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr19S30 _chemical_formula_sum 'Cr19 S30' _cell_volume 865.81327576 _cell_formula_units_Z 1 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 Cr Cr0 1 0.28515500 0.26571900 0.31548300 1.0 Cr Cr1 1 0.70214200 0.06558100 0.69744400 1.0 Cr Cr2 1 0.87995600 0.47082100 0.91251400 1.0 Cr Cr3 1 0.47514700 0.67227200 0.50984100 1.0 Cr Cr4 1 0.08076800 0.87509300 0.11411300 1.0 Cr Cr5 1 0.29785800 0.93441900 0.30255600 1.0 Cr Cr6 1 0.71484500 0.73428100 0.68451700 1.0 Cr Cr7 1 0.91923200 0.12490700 0.88588700 1.0 Cr Cr8 1 0.52485300 0.32772800 0.49015900 1.0 Cr Cr9 1 0.12004400 0.52917900 0.08748600 1.0 Cr Cr10 1 0.50000000 0.00000000 0.50000000 1.0 Cr Cr11 1 0.90075000 0.80379900 0.89999500 1.0 Cr Cr12 1 0.09925000 0.19620100 0.10000500 1.0 Cr Cr13 1 0.69684200 0.40018000 0.69815800 1.0 Cr Cr14 1 0.30315800 0.59982000 0.30184200 1.0 Cr Cr15 1 0.19930900 0.40045500 0.69880500 1.0 Cr Cr16 1 0.40339900 0.79874200 0.90019100 1.0 Cr Cr17 1 0.59660100 0.20125800 0.09980900 1.0 Cr Cr18 1 0.80069100 0.59954500 0.30119500 1.0 S S19 1 0.42041300 0.49244700 0.66165100 1.0 S S20 1 0.62514000 0.89192700 0.85896900 1.0 S S21 1 0.82230000 0.29093600 0.06231400 1.0 S S22 1 0.02691000 0.68984700 0.26039300 1.0 S S23 1 0.22604400 0.09141000 0.46258000 1.0 S S24 1 0.42221500 0.17227800 0.65732400 1.0 S S25 1 0.61752600 0.57179500 0.85852000 1.0 S S26 1 0.81841600 0.97282200 0.05888700 1.0 S S27 1 0.02409300 0.37061900 0.25536900 1.0 S S28 1 0.21804000 0.76915600 0.45623300 1.0 S S29 1 0.22972400 0.43180400 0.46671400 1.0 S S30 1 0.42604400 0.83315400 0.66558700 1.0 S S31 1 0.63186800 0.22979300 0.86464900 1.0 S S32 1 0.83213700 0.63203300 0.06723000 1.0 S S33 1 0.02810100 0.03538500 0.26421800 1.0 S S34 1 0.97309000 0.31015300 0.73960700 1.0 S S35 1 0.17770000 0.70906400 0.93768600 1.0 S S36 1 0.37486000 0.10807300 0.14103100 1.0 S S37 1 0.57958700 0.50755300 0.33834900 1.0 S S38 1 0.77395600 0.90859000 0.53742000 1.0 S S39 1 0.97590700 0.62938100 0.74463100 1.0 S S40 1 0.18158400 0.02717800 0.94111300 1.0 S S41 1 0.38247400 0.42820500 0.14148000 1.0 S S42 1 0.57778500 0.82772200 0.34267600 1.0 S S43 1 0.78196000 0.23084400 0.54376700 1.0 S S44 1 0.16786300 0.36796700 0.93277000 1.0 S S45 1 0.36813200 0.77020700 0.13535100 1.0 S S46 1 0.57395600 0.16684600 0.33441300 1.0 S S47 1 0.77027600 0.56819600 0.53328600 1.0 S S48 1 0.97189900 0.96461500 0.73578200 1.0