# generated using pymatgen data_Na(NbSe2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07748820 _cell_length_b 6.07748735 _cell_length_c 15.29853958 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000463 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na(NbSe2)3 _chemical_formula_sum 'Na2 Nb6 Se12' _cell_volume 489.36034529 _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 0.25000000 1.0 Na Na1 1 0.66666700 0.33333300 0.75000000 1.0 Nb Nb2 1 0.33333300 0.66666700 0.00025316 1.0 Nb Nb3 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb4 1 0.66666700 0.33333300 0.99974684 1.0 Nb Nb5 1 0.33333300 0.66666700 0.49974684 1.0 Nb Nb6 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb7 1 0.66666700 0.33333300 0.50025316 1.0 Se Se8 1 0.66995004 0.66692366 0.39116060 1.0 Se Se9 1 0.66692366 0.66995004 0.60883940 1.0 Se Se10 1 0.00302739 0.66995004 0.89116060 1.0 Se Se11 1 0.66692366 0.99697261 0.89116060 1.0 Se Se12 1 0.66995004 0.00302739 0.10883940 1.0 Se Se13 1 0.33307634 0.00302739 0.39116060 1.0 Se Se14 1 0.00302739 0.33307634 0.60883940 1.0 Se Se15 1 0.33004996 0.99697261 0.60883940 1.0 Se Se16 1 0.99697261 0.66692366 0.10883940 1.0 Se Se17 1 0.33004996 0.33307634 0.89116060 1.0 Se Se18 1 0.99697261 0.33004996 0.39116060 1.0 Se Se19 1 0.33307634 0.33004996 0.10883940 1.0