# generated using pymatgen data_Na6FeSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.35791019 _cell_length_b 9.35791019 _cell_length_c 7.23878200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000131 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6FeSe4 _chemical_formula_sum 'Na12 Fe2 Se8' _cell_volume 548.97664535 _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 0.14823400 0.85176600 0.54155700 1.0 Na Na1 1 0.29646800 0.14823400 0.04155700 1.0 Na Na2 1 0.85176600 0.70353200 0.04155700 1.0 Na Na3 1 0.14823400 0.29646800 0.54155700 1.0 Na Na4 1 0.70353200 0.85176600 0.54155700 1.0 Na Na5 1 0.85176600 0.14823400 0.04155700 1.0 Na Na6 1 0.53002200 0.46997800 0.36993800 1.0 Na Na7 1 0.06004300 0.53002200 0.86993800 1.0 Na Na8 1 0.46997800 0.93995700 0.86993800 1.0 Na Na9 1 0.53002200 0.06004300 0.36993800 1.0 Na Na10 1 0.93995700 0.46997800 0.36993800 1.0 Na Na11 1 0.46997800 0.53002200 0.86993800 1.0 Fe Fe12 1 0.33333300 0.66666700 0.25279100 1.0 Fe Fe13 1 0.66666700 0.33333300 0.75279100 1.0 Se Se14 1 0.33333300 0.66666700 0.59585800 1.0 Se Se15 1 0.66666700 0.33333300 0.09585800 1.0 Se Se16 1 0.18797900 0.81202100 0.14502200 1.0 Se Se17 1 0.37595700 0.18797900 0.64502200 1.0 Se Se18 1 0.81202100 0.62404300 0.64502200 1.0 Se Se19 1 0.18797900 0.37595700 0.14502200 1.0 Se Se20 1 0.62404300 0.81202100 0.14502200 1.0 Se Se21 1 0.81202100 0.18797900 0.64502200 1.0