# generated using pymatgen data_Na3Fe2Mo5O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75161300 _cell_length_b 5.75161328 _cell_length_c 21.94573500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Fe2Mo5O16 _chemical_formula_sum 'Na6 Fe4 Mo10 O32' _cell_volume 628.72405709 _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 0.33333300 0.66666700 0.61623700 1.0 Na Na1 1 0.66666700 0.33333300 0.38376300 1.0 Na Na2 1 0.00000000 0.00000000 0.00000000 1.0 Na Na3 1 0.66666700 0.33333300 0.88877300 1.0 Na Na4 1 0.33333300 0.66666700 0.11122700 1.0 Na Na5 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe6 1 0.00000000 0.00000000 0.34909400 1.0 Fe Fe7 1 0.00000000 0.00000000 0.85405600 1.0 Fe Fe8 1 0.00000000 0.00000000 0.65090600 1.0 Fe Fe9 1 0.00000000 0.00000000 0.14594400 1.0 Mo Mo10 1 0.66666700 0.33333300 0.56701600 1.0 Mo Mo11 1 0.03286100 0.51643100 0.24941500 1.0 Mo Mo12 1 0.33333300 0.66666700 0.43298400 1.0 Mo Mo13 1 0.51643100 0.48356900 0.75058500 1.0 Mo Mo14 1 0.48356900 0.51643100 0.24941500 1.0 Mo Mo15 1 0.51643100 0.03286100 0.75058500 1.0 Mo Mo16 1 0.66666700 0.33333300 0.07234300 1.0 Mo Mo17 1 0.96713900 0.48356900 0.75058500 1.0 Mo Mo18 1 0.48356900 0.96713900 0.24941500 1.0 Mo Mo19 1 0.33333300 0.66666700 0.92765700 1.0 O O20 1 0.31593400 0.15796700 0.58806000 1.0 O O21 1 0.68406600 0.84203300 0.41194000 1.0 O O22 1 0.31370400 0.15685200 0.09316500 1.0 O O23 1 0.15685200 0.31370400 0.90683500 1.0 O O24 1 0.67893900 0.83947000 0.19460300 1.0 O O25 1 0.17027300 0.82972700 0.69946400 1.0 O O26 1 0.84203300 0.68406600 0.58806000 1.0 O O27 1 0.33333300 0.66666700 0.51315400 1.0 O O28 1 0.84314800 0.15685200 0.09316500 1.0 O O29 1 0.15796700 0.31593400 0.41194000 1.0 O O30 1 0.16053000 0.32106100 0.19460300 1.0 O O31 1 0.68629600 0.84314800 0.90683500 1.0 O O32 1 0.66666700 0.33333300 0.20231800 1.0 O O33 1 0.82972700 0.17027300 0.30053600 1.0 O O34 1 0.83947000 0.16053000 0.80539700 1.0 O O35 1 0.66666700 0.33333300 0.48684600 1.0 O O36 1 0.33333300 0.66666700 0.79768200 1.0 O O37 1 0.17027300 0.34054700 0.69946400 1.0 O O38 1 0.84203300 0.15796700 0.58806000 1.0 O O39 1 0.33333300 0.66666700 0.31387100 1.0 O O40 1 0.16053000 0.83947000 0.19460300 1.0 O O41 1 0.33333300 0.66666700 0.00815200 1.0 O O42 1 0.83947000 0.67893900 0.80539700 1.0 O O43 1 0.66666700 0.33333300 0.68612900 1.0 O O44 1 0.34054700 0.17027300 0.30053600 1.0 O O45 1 0.65945300 0.82972700 0.69946400 1.0 O O46 1 0.82972700 0.65945300 0.30053600 1.0 O O47 1 0.15796700 0.84203300 0.41194000 1.0 O O48 1 0.15685200 0.84314800 0.90683500 1.0 O O49 1 0.32106100 0.16053000 0.80539700 1.0 O O50 1 0.66666700 0.33333300 0.99184800 1.0 O O51 1 0.84314800 0.68629600 0.09316500 1.0