# generated using pymatgen data_Nb6TeSe7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.23136728 _cell_length_b 10.39173113 _cell_length_c 3.48964012 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.11120645 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6TeSe7 _chemical_formula_sum 'Nb6 Te1 Se7' _cell_volume 317.65830553 _cell_formula_units_Z 1 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 Nb Nb0 1 0.50676957 0.89726594 0.75000000 1.0 Nb Nb1 1 0.62071243 0.50678077 0.25000000 1.0 Nb Nb2 1 0.89396782 0.37902113 0.25000000 1.0 Nb Nb3 1 0.10694154 0.61516652 0.75000000 1.0 Nb Nb4 1 0.38316504 0.48836779 0.75000000 1.0 Nb Nb5 1 0.48097652 0.10339583 0.25000000 1.0 Te Te6 1 0.68152947 0.73929551 0.75000000 1.0 Se Se7 1 0.94011051 0.65033902 0.25000000 1.0 Se Se8 1 0.71289235 0.06421125 0.25000000 1.0 Se Se9 1 0.27388484 0.93589379 0.75000000 1.0 Se Se10 1 0.06028287 0.34242881 0.75000000 1.0 Se Se11 1 0.34031367 0.28267903 0.25000000 1.0 Se Se12 1 0.66357717 0.32872348 0.75000000 1.0 Se Se13 1 0.33487618 0.66643312 0.25000000 1.0