# generated using pymatgen data_Li2Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.72790959 _cell_length_b 9.72790959 _cell_length_c 20.35552028 _cell_angle_alpha 76.17541418 _cell_angle_beta 76.17541418 _cell_angle_gamma 60.00000228 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mo15Se19 _chemical_formula_sum 'Li4 Mo30 Se38' _cell_volume 1603.45742679 _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 Li Li0 1 0.61394562 0.61394562 0.15816313 1.0 Li Li1 1 0.11394562 0.11394562 0.65816313 1.0 Li Li2 1 0.38605438 0.38605438 0.84183687 1.0 Li Li3 1 0.88605438 0.88605438 0.34183687 1.0 Mo Mo4 1 0.49785079 0.68858528 0.44114470 1.0 Mo Mo5 1 0.68858528 0.37241923 0.44114470 1.0 Mo Mo6 1 0.37241923 0.49785079 0.44114470 1.0 Mo Mo7 1 0.99785079 0.87241923 0.94114470 1.0 Mo Mo8 1 0.87241923 0.18858528 0.94114470 1.0 Mo Mo9 1 0.18858528 0.99785079 0.94114470 1.0 Mo Mo10 1 0.50214921 0.31141472 0.55885530 1.0 Mo Mo11 1 0.31141472 0.62758077 0.55885530 1.0 Mo Mo12 1 0.62758077 0.50214921 0.55885530 1.0 Mo Mo13 1 0.00214921 0.12758077 0.05885530 1.0 Mo Mo14 1 0.12758077 0.81141472 0.05885530 1.0 Mo Mo15 1 0.81141472 0.00214921 0.05885530 1.0 Mo Mo16 1 0.72551345 0.86053873 0.86740465 1.0 Mo Mo17 1 0.86053873 0.54654317 0.86740465 1.0 Mo Mo18 1 0.54654317 0.72551345 0.86740465 1.0 Mo Mo19 1 0.22551345 0.04654317 0.36740465 1.0 Mo Mo20 1 0.04654317 0.36053873 0.36740465 1.0 Mo Mo21 1 0.36053873 0.22551345 0.36740465 1.0 Mo Mo22 1 0.27448655 0.13946127 0.13259535 1.0 Mo Mo23 1 0.13946127 0.45345683 0.13259535 1.0 Mo Mo24 1 0.45345683 0.27448655 0.13259535 1.0 Mo Mo25 1 0.77448655 0.95345683 0.63259535 1.0 Mo Mo26 1 0.95345683 0.63946127 0.63259535 1.0 Mo Mo27 1 0.63946127 0.77448655 0.63259535 1.0 Mo Mo28 1 0.58972287 0.91027713 0.75000000 1.0 Mo Mo29 1 0.91027713 0.75000000 0.75000000 1.0 Mo Mo30 1 0.75000000 0.58972287 0.75000000 1.0 Mo Mo31 1 0.08972287 0.25000000 0.25000000 1.0 Mo Mo32 1 0.25000000 0.41027713 0.25000000 1.0 Mo Mo33 1 0.41027713 0.08972287 0.25000000 1.0 Se Se34 1 0.80290284 0.55737734 0.45045395 1.0 Se Se35 1 0.55737734 0.18926587 0.45045395 1.0 Se Se36 1 0.18926587 0.80290284 0.45045395 1.0 Se Se37 1 0.30290284 0.68926587 0.95045395 1.0 Se Se38 1 0.68926587 0.05737734 0.95045395 1.0 Se Se39 1 0.05737734 0.30290284 0.95045395 1.0 Se Se40 1 0.19709716 0.44262266 0.54954605 1.0 Se Se41 1 0.44262266 0.81073413 0.54954605 1.0 Se Se42 1 0.81073413 0.19709716 0.54954605 1.0 Se Se43 1 0.69709716 0.31073413 0.04954605 1.0 Se Se44 1 0.31073413 0.94262266 0.04954605 1.0 Se Se45 1 0.94262266 0.69709716 0.04954605 1.0 Se Se46 1 0.42048575 0.04434034 0.85626443 1.0 Se Se47 1 0.04434034 0.67890948 0.85626443 1.0 Se Se48 1 0.67890948 0.42048575 0.85626443 1.0 Se Se49 1 0.92048575 0.17890948 0.35626443 1.0 Se Se50 1 0.17890948 0.54434034 0.35626443 1.0 Se Se51 1 0.54434034 0.92048575 0.35626443 1.0 Se Se52 1 0.57951425 0.95565966 0.14373557 1.0 Se Se53 1 0.95565966 0.32109052 0.14373557 1.0 Se Se54 1 0.32109052 0.57951425 0.14373557 1.0 Se Se55 1 0.07951425 0.82109052 0.64373557 1.0 Se Se56 1 0.82109052 0.45565966 0.64373557 1.0 Se Se57 1 0.45565966 0.07951425 0.64373557 1.0 Se Se58 1 0.05894250 0.44105750 0.75000000 1.0 Se Se59 1 0.44105750 0.75000000 0.75000000 1.0 Se Se60 1 0.75000000 0.05894250 0.75000000 1.0 Se Se61 1 0.55894250 0.25000000 0.25000000 1.0 Se Se62 1 0.25000000 0.94105750 0.25000000 1.0 Se Se63 1 0.94105750 0.55894250 0.25000000 1.0 Se Se64 1 0.55450512 0.55450512 0.33648465 1.0 Se Se65 1 0.05450512 0.05450512 0.83648465 1.0 Se Se66 1 0.44549488 0.44549488 0.66351535 1.0 Se Se67 1 0.94549488 0.94549488 0.16351535 1.0 Se Se68 1 0.67610387 0.67610387 0.97168840 1.0 Se Se69 1 0.17610387 0.17610387 0.47168840 1.0 Se Se70 1 0.32389613 0.32389613 0.02831160 1.0 Se Se71 1 0.82389613 0.82389613 0.52831160 1.0