# generated using pymatgen data_Nb5Se8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99955515 _cell_length_b 6.99955628 _cell_length_c 13.27455661 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000896 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb5Se8 _chemical_formula_sum 'Nb10 Se16' _cell_volume 563.23750563 _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 Nb Nb0 1 0.00000000 0.00000000 0.25000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.75000000 1.0 Nb Nb2 1 0.50733079 0.01466158 0.25000000 1.0 Nb Nb3 1 0.49266921 0.98533842 0.75000000 1.0 Nb Nb4 1 0.98533842 0.49266921 0.25000000 1.0 Nb Nb5 1 0.01466158 0.50733079 0.75000000 1.0 Nb Nb6 1 0.50733079 0.49266921 0.25000000 1.0 Nb Nb7 1 0.49266921 0.50733079 0.75000000 1.0 Nb Nb8 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb9 1 0.00000000 0.00000000 0.50000000 1.0 Se Se10 1 0.33333300 0.66666700 0.62051204 1.0 Se Se11 1 0.66666700 0.33333300 0.37948796 1.0 Se Se12 1 0.66666700 0.33333300 0.12051204 1.0 Se Se13 1 0.33333300 0.66666700 0.87948796 1.0 Se Se14 1 0.16832995 0.33665990 0.12517403 1.0 Se Se15 1 0.83167005 0.66334010 0.87482597 1.0 Se Se16 1 0.66334010 0.83167005 0.12517403 1.0 Se Se17 1 0.83167005 0.66334010 0.62517403 1.0 Se Se18 1 0.33665990 0.16832995 0.87482597 1.0 Se Se19 1 0.16832995 0.33665990 0.37482597 1.0 Se Se20 1 0.16832995 0.83167005 0.12517403 1.0 Se Se21 1 0.33665990 0.16832995 0.62517403 1.0 Se Se22 1 0.83167005 0.16832995 0.87482597 1.0 Se Se23 1 0.66334010 0.83167005 0.37482597 1.0 Se Se24 1 0.83167005 0.16832995 0.62517403 1.0 Se Se25 1 0.16832995 0.83167005 0.37482597 1.0