# generated using pymatgen data_Ho5(Mo3S4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.22380800 _cell_length_b 11.33462880 _cell_length_c 14.48402982 _cell_angle_alpha 74.87389727 _cell_angle_beta 74.92466844 _cell_angle_gamma 70.30529191 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho5(Mo3S4)12 _chemical_formula_sum 'Ho5 Mo36 S48' _cell_volume 1644.41437816 _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 Ho Ho0 1 0.66745000 0.66691600 0.33168900 1.0 Ho Ho1 1 0.33255000 0.33308400 0.66831100 1.0 Ho Ho2 1 0.50000000 0.50000000 0.00000000 1.0 Ho Ho3 1 0.16612000 0.16713100 0.33347400 1.0 Ho Ho4 1 0.83388000 0.83286900 0.66652600 1.0 Mo Mo5 1 0.10110200 0.54549300 0.06557100 1.0 Mo Mo6 1 0.76953000 0.20980300 0.39892700 1.0 Mo Mo7 1 0.43857700 0.87627600 0.73247200 1.0 Mo Mo8 1 0.95732700 0.37644100 0.11100500 1.0 Mo Mo9 1 0.62336600 0.04475100 0.44539300 1.0 Mo Mo10 1 0.29184200 0.71137000 0.77892400 1.0 Mo Mo11 1 0.81199300 0.03267100 0.28676100 1.0 Mo Mo12 1 0.47851200 0.70116000 0.62022900 1.0 Mo Mo13 1 0.14373700 0.36665200 0.95457300 1.0 Mo Mo14 1 0.35511100 0.13114700 0.04680500 1.0 Mo Mo15 1 0.01971100 0.80007200 0.38150800 1.0 Mo Mo16 1 0.68821800 0.46497400 0.71331600 1.0 Mo Mo17 1 0.20914000 0.79098600 0.22123800 1.0 Mo Mo18 1 0.87584200 0.45551500 0.55456600 1.0 Mo Mo19 1 0.54167000 0.12471300 0.88556700 1.0 Mo Mo20 1 0.06321700 0.62456800 0.26834200 1.0 Mo Mo21 1 0.73124600 0.29022900 0.60013000 1.0 Mo Mo22 1 0.39743300 0.95517900 0.93439300 1.0 Mo Mo23 1 0.60256700 0.04482100 0.06560700 1.0 Mo Mo24 1 0.26875400 0.70977100 0.39987000 1.0 Mo Mo25 1 0.93678300 0.37543200 0.73165800 1.0 Mo Mo26 1 0.45833000 0.87528700 0.11443300 1.0 Mo Mo27 1 0.12415800 0.54448500 0.44543400 1.0 Mo Mo28 1 0.79086000 0.20901400 0.77876200 1.0 Mo Mo29 1 0.31178200 0.53502600 0.28668400 1.0 Mo Mo30 1 0.98028900 0.19992800 0.61849200 1.0 Mo Mo31 1 0.64488900 0.86885300 0.95319500 1.0 Mo Mo32 1 0.85626300 0.63334800 0.04542700 1.0 Mo Mo33 1 0.52148800 0.29884000 0.37977100 1.0 Mo Mo34 1 0.18800700 0.96732900 0.71323900 1.0 Mo Mo35 1 0.70815800 0.28863000 0.22107600 1.0 Mo Mo36 1 0.37663400 0.95524900 0.55460700 1.0 Mo Mo37 1 0.04267300 0.62355900 0.88899500 1.0 Mo Mo38 1 0.56142300 0.12372400 0.26752800 1.0 Mo Mo39 1 0.23047000 0.79019700 0.60107300 1.0 Mo Mo40 1 0.89889800 0.45450700 0.93442900 1.0 S S41 1 0.91207500 0.54361900 0.20768300 1.0 S S42 1 0.57881600 0.21123600 0.54076600 1.0 S S43 1 0.25317200 0.87826200 0.87002100 1.0 S S44 1 0.93824400 0.18511700 0.25287300 1.0 S S45 1 0.60651900 0.85244200 0.58528300 1.0 S S46 1 0.99969800 0.23454100 0.00008500 1.0 S S47 1 0.27153900 0.51998500 0.92038800 1.0 S S48 1 0.66457300 0.90451300 0.33296900 1.0 S S49 1 0.33281800 0.57083300 0.66669200 1.0 S S50 1 0.18376700 0.31255200 0.12771800 1.0 S S51 1 0.84956700 0.97966900 0.46152500 1.0 S S52 1 0.51804600 0.64535300 0.79490900 1.0 S S53 1 0.98294700 0.85412600 0.21221900 1.0 S S54 1 0.64985100 0.52149400 0.53869000 1.0 S S55 1 0.31347700 0.18596700 0.87261900 1.0 S S56 1 0.16542800 0.92991300 0.33489000 1.0 S S57 1 0.83249200 0.59576100 0.66725000 1.0 S S58 1 0.23669800 0.97404000 0.08251600 1.0 S S59 1 0.49943500 0.26395700 0.99787700 1.0 S S60 1 0.89390800 0.64740900 0.41379000 1.0 S S61 1 0.56146100 0.31407700 0.74543200 1.0 S S62 1 0.41131000 0.04336200 0.20834300 1.0 S S63 1 0.07889900 0.70891000 0.54282000 1.0 S S64 1 0.74610700 0.37566700 0.87430200 1.0 S S65 1 0.25389300 0.62433300 0.12569800 1.0 S S66 1 0.92110100 0.29109000 0.45718000 1.0 S S67 1 0.58869000 0.95663800 0.79165700 1.0 S S68 1 0.43853900 0.68592300 0.25456800 1.0 S S69 1 0.10609200 0.35259100 0.58621000 1.0 S S70 1 0.50056500 0.73604300 0.00212300 1.0 S S71 1 0.76330200 0.02596000 0.91748400 1.0 S S72 1 0.16750800 0.40423900 0.33275000 1.0 S S73 1 0.83457200 0.07008700 0.66511000 1.0 S S74 1 0.68652300 0.81403300 0.12738100 1.0 S S75 1 0.35014900 0.47850600 0.46131000 1.0 S S76 1 0.01705300 0.14587400 0.78778100 1.0 S S77 1 0.48195400 0.35464700 0.20509100 1.0 S S78 1 0.15043300 0.02033100 0.53847500 1.0 S S79 1 0.81623300 0.68744800 0.87228200 1.0 S S80 1 0.66718200 0.42916700 0.33330800 1.0 S S81 1 0.33542700 0.09548700 0.66703100 1.0 S S82 1 0.72846100 0.48001500 0.07961200 1.0 S S83 1 0.00030200 0.76545900 0.99991500 1.0 S S84 1 0.39348100 0.14755800 0.41471700 1.0 S S85 1 0.06175600 0.81488300 0.74712700 1.0 S S86 1 0.74682800 0.12173800 0.12997900 1.0 S S87 1 0.42118400 0.78876400 0.45923400 1.0 S S88 1 0.08792500 0.45638100 0.79231700 1.0