# generated using pymatgen data_Sn3Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 19.67306000 _cell_length_b 9.88257100 _cell_length_c 9.91257497 _cell_angle_alpha 60.25000194 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn3Mo15Se19 _chemical_formula_sum 'Sn6 Mo30 Se38' _cell_volume 1673.19878787 _cell_formula_units_Z 2 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 Sn Sn0 1 0.39271300 0.33563100 0.35027600 1.0 Sn Sn1 1 0.89271300 0.66436900 0.64972400 1.0 Sn Sn2 1 0.60728700 0.66436900 0.64972400 1.0 Sn Sn3 1 0.10728700 0.33563100 0.35027600 1.0 Sn Sn4 1 0.25000000 0.17419600 0.03714600 1.0 Sn Sn5 1 0.75000000 0.82580400 0.96285400 1.0 Mo Mo6 1 0.36496700 0.81364300 0.50404400 1.0 Mo Mo7 1 0.36474000 0.68769400 0.81102500 1.0 Mo Mo8 1 0.36514700 0.50546800 0.68088600 1.0 Mo Mo9 1 0.86496700 0.18635700 0.49595600 1.0 Mo Mo10 1 0.86474000 0.31230600 0.18897500 1.0 Mo Mo11 1 0.86514700 0.49453200 0.31911400 1.0 Mo Mo12 1 0.63503300 0.18635700 0.49595600 1.0 Mo Mo13 1 0.63526000 0.31230600 0.18897500 1.0 Mo Mo14 1 0.63485300 0.49453200 0.31911400 1.0 Mo Mo15 1 0.13503300 0.81364300 0.50404400 1.0 Mo Mo16 1 0.13526000 0.68769400 0.81102500 1.0 Mo Mo17 1 0.13485300 0.50546800 0.68088600 1.0 Mo Mo18 1 0.44311500 0.84897300 0.16590000 1.0 Mo Mo19 1 0.44358300 0.98560900 0.84766500 1.0 Mo Mo20 1 0.44344300 0.15795400 0.98570500 1.0 Mo Mo21 1 0.94311500 0.15102700 0.83410000 1.0 Mo Mo22 1 0.94358300 0.01439100 0.15233500 1.0 Mo Mo23 1 0.94344300 0.84204600 0.01429500 1.0 Mo Mo24 1 0.55688500 0.15102700 0.83410000 1.0 Mo Mo25 1 0.55641700 0.01439100 0.15233500 1.0 Mo Mo26 1 0.55655700 0.84204600 0.01429500 1.0 Mo Mo27 1 0.05688500 0.84897300 0.16590000 1.0 Mo Mo28 1 0.05641700 0.98560900 0.84766500 1.0 Mo Mo29 1 0.05655700 0.15795400 0.98570500 1.0 Mo Mo30 1 0.25000000 0.64877800 0.51756100 1.0 Mo Mo31 1 0.25000000 0.83053300 0.65753600 1.0 Mo Mo32 1 0.25000000 0.51198100 0.83557600 1.0 Mo Mo33 1 0.75000000 0.35122200 0.48243900 1.0 Mo Mo34 1 0.75000000 0.16946700 0.34246400 1.0 Mo Mo35 1 0.75000000 0.48801900 0.16442400 1.0 Se Se36 1 0.25000000 0.94957200 0.35955800 1.0 Se Se37 1 0.25000000 0.69035200 0.95781400 1.0 Se Se38 1 0.25000000 0.35002600 0.68796900 1.0 Se Se39 1 0.75000000 0.05042800 0.64044200 1.0 Se Se40 1 0.75000000 0.30964800 0.04218600 1.0 Se Se41 1 0.75000000 0.64997400 0.31203100 1.0 Se Se42 1 0.33953200 0.97794800 0.00121300 1.0 Se Se43 1 0.83953200 0.02205200 0.99878700 1.0 Se Se44 1 0.66046800 0.02205200 0.99878700 1.0 Se Se45 1 0.16046800 0.97794800 0.00121300 1.0 Se Se46 1 0.35843700 0.62258100 0.37995800 1.0 Se Se47 1 0.35837600 0.99614000 0.62564600 1.0 Se Se48 1 0.36637300 0.38835300 0.98934700 1.0 Se Se49 1 0.85843700 0.37741900 0.62004200 1.0 Se Se50 1 0.85837600 0.00386000 0.37435400 1.0 Se Se51 1 0.86637300 0.61164700 0.01065300 1.0 Se Se52 1 0.64156300 0.37741900 0.62004200 1.0 Se Se53 1 0.64162400 0.00386000 0.37435400 1.0 Se Se54 1 0.63362700 0.61164700 0.01065300 1.0 Se Se55 1 0.14156300 0.62258100 0.37995800 1.0 Se Se56 1 0.14162400 0.99614000 0.62564600 1.0 Se Se57 1 0.13362700 0.38835300 0.98934700 1.0 Se Se58 1 0.44694100 0.03460500 0.28680000 1.0 Se Se59 1 0.44863500 0.67880900 0.03532100 1.0 Se Se60 1 0.44867000 0.28736200 0.67523600 1.0 Se Se61 1 0.94694100 0.96539500 0.71320000 1.0 Se Se62 1 0.94863500 0.32119100 0.96467900 1.0 Se Se63 1 0.94867000 0.71263800 0.32476400 1.0 Se Se64 1 0.55305900 0.96539500 0.71320000 1.0 Se Se65 1 0.55136500 0.32119100 0.96467900 1.0 Se Se66 1 0.55133000 0.71263800 0.32476400 1.0 Se Se67 1 0.05305900 0.03460500 0.28680000 1.0 Se Se68 1 0.05136500 0.67880900 0.03532100 1.0 Se Se69 1 0.05133000 0.28736200 0.67523600 1.0 Se Se70 1 0.96758500 0.33200100 0.33393100 1.0 Se Se71 1 0.46758500 0.66799900 0.66606900 1.0 Se Se72 1 0.03241500 0.66799900 0.66606900 1.0 Se Se73 1 0.53241500 0.33200100 0.33393100 1.0