# generated using pymatgen data_Sn2Mo15S19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41896701 _cell_length_b 9.41896701 _cell_length_c 18.96224300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000710 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2Mo15S19 _chemical_formula_sum 'Sn4 Mo30 S38' _cell_volume 1456.89032748 _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 0.66666700 0.33333300 0.60350900 1.0 Sn Sn1 1 0.33333300 0.66666700 0.10350900 1.0 Sn Sn2 1 0.33333300 0.66666700 0.39649100 1.0 Sn Sn3 1 0.66666700 0.33333300 0.89649100 1.0 Mo Mo4 1 0.15386700 0.98145300 0.56011000 1.0 Mo Mo5 1 0.01854700 0.17241400 0.56011000 1.0 Mo Mo6 1 0.82758600 0.84613300 0.56011000 1.0 Mo Mo7 1 0.84613300 0.01854700 0.06011000 1.0 Mo Mo8 1 0.98145300 0.82758600 0.06011000 1.0 Mo Mo9 1 0.17241400 0.15386700 0.06011000 1.0 Mo Mo10 1 0.84613300 0.01854700 0.43989000 1.0 Mo Mo11 1 0.98145300 0.82758600 0.43989000 1.0 Mo Mo12 1 0.17241400 0.15386700 0.43989000 1.0 Mo Mo13 1 0.15386700 0.98145300 0.93989000 1.0 Mo Mo14 1 0.01854700 0.17241400 0.93989000 1.0 Mo Mo15 1 0.82758600 0.84613300 0.93989000 1.0 Mo Mo16 1 0.17719900 0.68350000 0.63224500 1.0 Mo Mo17 1 0.31650000 0.49369900 0.63224500 1.0 Mo Mo18 1 0.50630100 0.82280100 0.63224500 1.0 Mo Mo19 1 0.82280100 0.31650000 0.13224500 1.0 Mo Mo20 1 0.68350000 0.50630100 0.13224500 1.0 Mo Mo21 1 0.49369900 0.17719900 0.13224500 1.0 Mo Mo22 1 0.82280100 0.31650000 0.36775500 1.0 Mo Mo23 1 0.68350000 0.50630100 0.36775500 1.0 Mo Mo24 1 0.49369900 0.17719900 0.36775500 1.0 Mo Mo25 1 0.17719900 0.68350000 0.86775500 1.0 Mo Mo26 1 0.31650000 0.49369900 0.86775500 1.0 Mo Mo27 1 0.50630100 0.82280100 0.86775500 1.0 Mo Mo28 1 0.34964600 0.84233200 0.75000000 1.0 Mo Mo29 1 0.15766800 0.50731400 0.75000000 1.0 Mo Mo30 1 0.49268600 0.65035400 0.75000000 1.0 Mo Mo31 1 0.65035400 0.15766800 0.25000000 1.0 Mo Mo32 1 0.84233200 0.49268600 0.25000000 1.0 Mo Mo33 1 0.50731400 0.34964600 0.25000000 1.0 S S34 1 0.00000000 0.00000000 0.65819300 1.0 S S35 1 0.00000000 0.00000000 0.15819300 1.0 S S36 1 0.00000000 0.00000000 0.34180700 1.0 S S37 1 0.00000000 0.00000000 0.84180700 1.0 S S38 1 0.66666700 0.33333300 0.03455000 1.0 S S39 1 0.33333300 0.66666700 0.53455000 1.0 S S40 1 0.33333300 0.66666700 0.96545000 1.0 S S41 1 0.66666700 0.33333300 0.46545000 1.0 S S42 1 0.04823400 0.69780200 0.75000000 1.0 S S43 1 0.30219800 0.35043200 0.75000000 1.0 S S44 1 0.64956800 0.95176600 0.75000000 1.0 S S45 1 0.95176600 0.30219800 0.25000000 1.0 S S46 1 0.69780200 0.64956800 0.25000000 1.0 S S47 1 0.35043200 0.04823400 0.25000000 1.0 S S48 1 0.96183300 0.68076400 0.55134200 1.0 S S49 1 0.31923600 0.28106900 0.55134200 1.0 S S50 1 0.71893100 0.03816700 0.55134200 1.0 S S51 1 0.03816700 0.31923600 0.05134200 1.0 S S52 1 0.68076400 0.71893100 0.05134200 1.0 S S53 1 0.28106900 0.96183300 0.05134200 1.0 S S54 1 0.03816700 0.31923600 0.44865800 1.0 S S55 1 0.68076400 0.71893100 0.44865800 1.0 S S56 1 0.28106900 0.96183300 0.44865800 1.0 S S57 1 0.96183300 0.68076400 0.94865800 1.0 S S58 1 0.31923600 0.28106900 0.94865800 1.0 S S59 1 0.71893100 0.03816700 0.94865800 1.0 S S60 1 0.37444900 0.99037200 0.64092800 1.0 S S61 1 0.00962800 0.38407700 0.64092800 1.0 S S62 1 0.61592300 0.62555100 0.64092800 1.0 S S63 1 0.62555100 0.00962800 0.14092800 1.0 S S64 1 0.99037200 0.61592300 0.14092800 1.0 S S65 1 0.38407700 0.37444900 0.14092800 1.0 S S66 1 0.62555100 0.00962800 0.35907200 1.0 S S67 1 0.99037200 0.61592300 0.35907200 1.0 S S68 1 0.38407700 0.37444900 0.35907200 1.0 S S69 1 0.37444900 0.99037200 0.85907200 1.0 S S70 1 0.00962800 0.38407700 0.85907200 1.0 S S71 1 0.61592300 0.62555100 0.85907200 1.0