# generated using pymatgen data_Na2Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75643159 _cell_length_b 9.75643159 _cell_length_c 20.40120524 _cell_angle_alpha 76.16574010 _cell_angle_beta 76.16574010 _cell_angle_gamma 60.00000424 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2Mo15Se19 _chemical_formula_sum 'Na4 Mo30 Se38' _cell_volume 1616.40227139 _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 Na Na0 1 0.61388559 0.61388559 0.15834324 1.0 Na Na1 1 0.11388559 0.11388559 0.65834324 1.0 Na Na2 1 0.38611441 0.38611441 0.84165676 1.0 Na Na3 1 0.88611441 0.88611441 0.34165676 1.0 Mo Mo4 1 0.49748396 0.68824913 0.44139873 1.0 Mo Mo5 1 0.68824913 0.37286819 0.44139873 1.0 Mo Mo6 1 0.37286819 0.49748396 0.44139873 1.0 Mo Mo7 1 0.99748396 0.87286819 0.94139873 1.0 Mo Mo8 1 0.87286819 0.18824913 0.94139873 1.0 Mo Mo9 1 0.18824913 0.99748396 0.94139873 1.0 Mo Mo10 1 0.50251604 0.31175087 0.55860127 1.0 Mo Mo11 1 0.31175087 0.62713181 0.55860127 1.0 Mo Mo12 1 0.62713181 0.50251604 0.55860127 1.0 Mo Mo13 1 0.00251604 0.12713181 0.05860127 1.0 Mo Mo14 1 0.12713181 0.81175087 0.05860127 1.0 Mo Mo15 1 0.81175087 0.00251604 0.05860127 1.0 Mo Mo16 1 0.72492763 0.86048473 0.86718954 1.0 Mo Mo17 1 0.86048473 0.54739810 0.86718954 1.0 Mo Mo18 1 0.54739810 0.72492763 0.86718954 1.0 Mo Mo19 1 0.22492763 0.04739810 0.36718954 1.0 Mo Mo20 1 0.04739810 0.36048473 0.36718954 1.0 Mo Mo21 1 0.36048473 0.22492763 0.36718954 1.0 Mo Mo22 1 0.27507237 0.13951527 0.13281046 1.0 Mo Mo23 1 0.13951527 0.45260190 0.13281046 1.0 Mo Mo24 1 0.45260190 0.27507237 0.13281046 1.0 Mo Mo25 1 0.77507237 0.95260190 0.63281046 1.0 Mo Mo26 1 0.95260190 0.63951527 0.63281046 1.0 Mo Mo27 1 0.63951527 0.77507237 0.63281046 1.0 Mo Mo28 1 0.59082932 0.90917068 0.75000000 1.0 Mo Mo29 1 0.90917068 0.75000000 0.75000000 1.0 Mo Mo30 1 0.75000000 0.59082932 0.75000000 1.0 Mo Mo31 1 0.09082932 0.25000000 0.25000000 1.0 Mo Mo32 1 0.25000000 0.40917068 0.25000000 1.0 Mo Mo33 1 0.40917068 0.09082932 0.25000000 1.0 Se Se34 1 0.80248372 0.55703826 0.45062950 1.0 Se Se35 1 0.55703826 0.18984853 0.45062950 1.0 Se Se36 1 0.18984853 0.80248372 0.45062950 1.0 Se Se37 1 0.30248372 0.68984853 0.95062950 1.0 Se Se38 1 0.68984853 0.05703826 0.95062950 1.0 Se Se39 1 0.05703826 0.30248372 0.95062950 1.0 Se Se40 1 0.19751628 0.44296174 0.54937050 1.0 Se Se41 1 0.44296174 0.81015147 0.54937050 1.0 Se Se42 1 0.81015147 0.19751628 0.54937050 1.0 Se Se43 1 0.69751628 0.31015147 0.04937050 1.0 Se Se44 1 0.31015147 0.94296174 0.04937050 1.0 Se Se45 1 0.94296174 0.69751628 0.04937050 1.0 Se Se46 1 0.42083045 0.04059266 0.85643150 1.0 Se Se47 1 0.04059266 0.68214538 0.85643150 1.0 Se Se48 1 0.68214538 0.42083045 0.85643150 1.0 Se Se49 1 0.92083045 0.18214538 0.35643150 1.0 Se Se50 1 0.18214538 0.54059266 0.35643150 1.0 Se Se51 1 0.54059266 0.92083045 0.35643150 1.0 Se Se52 1 0.57916955 0.95940734 0.14356850 1.0 Se Se53 1 0.95940734 0.31785462 0.14356850 1.0 Se Se54 1 0.31785462 0.57916955 0.14356850 1.0 Se Se55 1 0.07916955 0.81785462 0.64356850 1.0 Se Se56 1 0.81785462 0.45940734 0.64356850 1.0 Se Se57 1 0.45940734 0.07916955 0.64356850 1.0 Se Se58 1 0.05833970 0.44166030 0.75000000 1.0 Se Se59 1 0.44166030 0.75000000 0.75000000 1.0 Se Se60 1 0.75000000 0.05833970 0.75000000 1.0 Se Se61 1 0.55833970 0.25000000 0.25000000 1.0 Se Se62 1 0.25000000 0.94166030 0.25000000 1.0 Se Se63 1 0.94166030 0.55833970 0.25000000 1.0 Se Se64 1 0.55425771 0.55425771 0.33722688 1.0 Se Se65 1 0.05425771 0.05425771 0.83722688 1.0 Se Se66 1 0.44574229 0.44574229 0.66277312 1.0 Se Se67 1 0.94574229 0.94574229 0.16277312 1.0 Se Se68 1 0.67623764 0.67623764 0.97128708 1.0 Se Se69 1 0.17623764 0.17623764 0.47128708 1.0 Se Se70 1 0.32376236 0.32376236 0.02871292 1.0 Se Se71 1 0.82376236 0.82376236 0.52871292 1.0