# generated using pymatgen data_K2Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90142855 _cell_length_b 9.90142855 _cell_length_c 20.37434670 _cell_angle_alpha 75.93705885 _cell_angle_beta 75.93705885 _cell_angle_gamma 59.99999952 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2Mo15Se19 _chemical_formula_sum 'K4 Mo30 Se38' _cell_volume 1660.37015084 _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 K K0 1 0.61476420 0.61476420 0.15570740 1.0 K K1 1 0.11476420 0.11476420 0.65570740 1.0 K K2 1 0.38523580 0.38523580 0.84429260 1.0 K K3 1 0.88523580 0.88523580 0.34429260 1.0 Mo Mo4 1 0.49774485 0.68622673 0.44167947 1.0 Mo Mo5 1 0.68622673 0.37434896 0.44167947 1.0 Mo Mo6 1 0.37434896 0.49774485 0.44167947 1.0 Mo Mo7 1 0.99774485 0.87434896 0.94167947 1.0 Mo Mo8 1 0.87434896 0.18622673 0.94167947 1.0 Mo Mo9 1 0.18622673 0.99774485 0.94167947 1.0 Mo Mo10 1 0.50225515 0.31377327 0.55832053 1.0 Mo Mo11 1 0.31377327 0.62565104 0.55832053 1.0 Mo Mo12 1 0.62565104 0.50225515 0.55832053 1.0 Mo Mo13 1 0.00225515 0.12565104 0.05832053 1.0 Mo Mo14 1 0.12565104 0.81377327 0.05832053 1.0 Mo Mo15 1 0.81377327 0.00225515 0.05832053 1.0 Mo Mo16 1 0.72264263 0.85979672 0.86765922 1.0 Mo Mo17 1 0.85979672 0.54990142 0.86765922 1.0 Mo Mo18 1 0.54990142 0.72264263 0.86765922 1.0 Mo Mo19 1 0.22264263 0.04990142 0.36765922 1.0 Mo Mo20 1 0.04990142 0.35979672 0.36765922 1.0 Mo Mo21 1 0.35979672 0.22264263 0.36765922 1.0 Mo Mo22 1 0.27735737 0.14020328 0.13234078 1.0 Mo Mo23 1 0.14020328 0.45009858 0.13234078 1.0 Mo Mo24 1 0.45009858 0.27735737 0.13234078 1.0 Mo Mo25 1 0.77735737 0.95009858 0.63234078 1.0 Mo Mo26 1 0.95009858 0.64020328 0.63234078 1.0 Mo Mo27 1 0.64020328 0.77735737 0.63234078 1.0 Mo Mo28 1 0.59263518 0.90736482 0.75000000 1.0 Mo Mo29 1 0.90736482 0.75000000 0.75000000 1.0 Mo Mo30 1 0.75000000 0.59263518 0.75000000 1.0 Mo Mo31 1 0.09263518 0.25000000 0.25000000 1.0 Mo Mo32 1 0.25000000 0.40736482 0.25000000 1.0 Mo Mo33 1 0.40736482 0.09263518 0.25000000 1.0 Se Se34 1 0.80089857 0.55480407 0.45010578 1.0 Se Se35 1 0.55480407 0.19419158 0.45010578 1.0 Se Se36 1 0.19419158 0.80089857 0.45010578 1.0 Se Se37 1 0.30089857 0.69419158 0.95010578 1.0 Se Se38 1 0.69419158 0.05480407 0.95010578 1.0 Se Se39 1 0.05480407 0.30089857 0.95010578 1.0 Se Se40 1 0.19910143 0.44519593 0.54989422 1.0 Se Se41 1 0.44519593 0.80580842 0.54989422 1.0 Se Se42 1 0.80580842 0.19910143 0.54989422 1.0 Se Se43 1 0.69910143 0.30580842 0.04989422 1.0 Se Se44 1 0.30580842 0.94519593 0.04989422 1.0 Se Se45 1 0.94519593 0.69910143 0.04989422 1.0 Se Se46 1 0.42231144 0.03085452 0.85733039 1.0 Se Se47 1 0.03085452 0.68950365 0.85733039 1.0 Se Se48 1 0.68950365 0.42231144 0.85733039 1.0 Se Se49 1 0.92231144 0.18950365 0.35733039 1.0 Se Se50 1 0.18950365 0.53085452 0.35733039 1.0 Se Se51 1 0.53085452 0.92231144 0.35733039 1.0 Se Se52 1 0.57768856 0.96914548 0.14266961 1.0 Se Se53 1 0.96914548 0.31049635 0.14266961 1.0 Se Se54 1 0.31049635 0.57768856 0.14266961 1.0 Se Se55 1 0.07768856 0.81049635 0.64266961 1.0 Se Se56 1 0.81049635 0.46914548 0.64266961 1.0 Se Se57 1 0.46914548 0.07768856 0.64266961 1.0 Se Se58 1 0.05385489 0.44614511 0.75000000 1.0 Se Se59 1 0.44614511 0.75000000 0.75000000 1.0 Se Se60 1 0.75000000 0.05385489 0.75000000 1.0 Se Se61 1 0.55385489 0.25000000 0.25000000 1.0 Se Se62 1 0.25000000 0.94614511 0.25000000 1.0 Se Se63 1 0.94614511 0.55385489 0.25000000 1.0 Se Se64 1 0.55412394 0.55412394 0.33762819 1.0 Se Se65 1 0.05412394 0.05412394 0.83762819 1.0 Se Se66 1 0.44587606 0.44587606 0.66237181 1.0 Se Se67 1 0.94587606 0.94587606 0.16237181 1.0 Se Se68 1 0.67606590 0.67606590 0.97180230 1.0 Se Se69 1 0.17606590 0.17606590 0.47180230 1.0 Se Se70 1 0.32393410 0.32393410 0.02819770 1.0 Se Se71 1 0.82393410 0.82393410 0.52819770 1.0