# generated using pymatgen data_Nb4CrSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97909786 _cell_length_b 6.97909786 _cell_length_c 13.83574700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999866 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4CrSe8 _chemical_formula_sum 'Nb8 Cr2 Se16' _cell_volume 583.62222944 _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 0.00000000 1.0 Nb Nb1 1 0.50000000 0.00000000 0.50000000 1.0 Nb Nb2 1 0.50000000 0.50000000 0.00000000 1.0 Nb Nb3 1 0.00000000 0.50000000 0.00000000 1.0 Nb Nb4 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb5 1 0.50000000 0.50000000 0.50000000 1.0 Nb Nb6 1 0.50000000 0.00000000 0.00000000 1.0 Nb Nb7 1 0.00000000 0.00000000 0.50000000 1.0 Cr Cr8 1 0.00000000 0.00000000 0.25000000 1.0 Cr Cr9 1 0.00000000 0.00000000 0.75000000 1.0 Se Se10 1 0.83260800 0.16739200 0.87680900 1.0 Se Se11 1 0.16739200 0.83260800 0.37680900 1.0 Se Se12 1 0.16739200 0.33478400 0.37680900 1.0 Se Se13 1 0.66521600 0.83260800 0.37680900 1.0 Se Se14 1 0.33478400 0.16739200 0.87680900 1.0 Se Se15 1 0.83260800 0.66521600 0.62319100 1.0 Se Se16 1 0.33333300 0.66666700 0.87905200 1.0 Se Se17 1 0.83260800 0.66521600 0.87680900 1.0 Se Se18 1 0.33333300 0.66666700 0.62094800 1.0 Se Se19 1 0.66666700 0.33333300 0.12094800 1.0 Se Se20 1 0.66666700 0.33333300 0.37905200 1.0 Se Se21 1 0.16739200 0.33478400 0.12319100 1.0 Se Se22 1 0.66521600 0.83260800 0.12319100 1.0 Se Se23 1 0.83260800 0.16739200 0.62319100 1.0 Se Se24 1 0.33478400 0.16739200 0.62319100 1.0 Se Se25 1 0.16739200 0.83260800 0.12319100 1.0