# generated using pymatgen data_Cr5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87041700 _cell_length_b 8.87207346 _cell_length_c 10.34750633 _cell_angle_alpha 112.88309666 _cell_angle_beta 112.85540920 _cell_angle_gamma 84.59602923 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr5S8 _chemical_formula_sum 'Cr15 S24' _cell_volume 689.79426991 _cell_formula_units_Z 3 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 0.25339200 0.24821000 0.00188600 1.0 Cr Cr1 1 0.74778100 0.74738000 0.66387100 1.0 Cr Cr2 1 0.74660800 0.75179000 0.99811400 1.0 Cr Cr3 1 0.25221900 0.25262000 0.33612900 1.0 Cr Cr4 1 0.00000000 0.50000000 0.50000000 1.0 Cr Cr5 1 0.75006200 0.25141100 0.99854900 1.0 Cr Cr6 1 0.26992500 0.26094200 0.67391600 1.0 Cr Cr7 1 0.48844800 0.97994500 0.82442000 1.0 Cr Cr8 1 0.51155200 0.02005500 0.17558000 1.0 Cr Cr9 1 0.73007500 0.73905800 0.32608400 1.0 Cr Cr10 1 0.50000000 0.00000000 0.50000000 1.0 Cr Cr11 1 0.24993800 0.74858900 0.00145100 1.0 Cr Cr12 1 0.98417300 0.48435300 0.81759400 1.0 Cr Cr13 1 0.01582700 0.51564700 0.18240600 1.0 Cr Cr14 1 0.00000000 0.00000000 0.50000000 1.0 S S15 1 0.55380500 0.70987400 0.75373300 1.0 S S16 1 0.20471300 0.53177300 0.41602000 1.0 S S17 1 0.04351300 0.22140500 0.08658300 1.0 S S18 1 0.79973200 0.46014000 0.24996200 1.0 S S19 1 0.05061500 0.21379600 0.42797000 1.0 S S20 1 0.70338300 0.03884900 0.07399000 1.0 S S21 1 0.05186200 0.20794500 0.74937800 1.0 S S22 1 0.70771400 0.03361000 0.41577600 1.0 S S23 1 0.29661700 0.96115100 0.92601000 1.0 S S24 1 0.54151100 0.71857300 0.08364700 1.0 S S25 1 0.94938500 0.78620400 0.57203000 1.0 S S26 1 0.30312600 0.96130700 0.25007200 1.0 S S27 1 0.20026800 0.53986000 0.75003800 1.0 S S28 1 0.54663500 0.71626400 0.42639800 1.0 S S29 1 0.95648700 0.77859500 0.91341700 1.0 S S30 1 0.20263400 0.53526100 0.07398900 1.0 S S31 1 0.79528700 0.46822700 0.58398000 1.0 S S32 1 0.44619500 0.29012600 0.24626700 1.0 S S33 1 0.79736600 0.46473900 0.92601100 1.0 S S34 1 0.45336500 0.28373600 0.57360200 1.0 S S35 1 0.69687400 0.03869300 0.74992800 1.0 S S36 1 0.45848900 0.28142700 0.91635300 1.0 S S37 1 0.29228600 0.96639000 0.58422400 1.0 S S38 1 0.94813800 0.79205500 0.25062200 1.0