# generated using pymatgen data_Nb11Re3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46420061 _cell_length_b 6.46420061 _cell_length_c 6.45696856 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb11Re3Ru2 _chemical_formula_sum 'Nb11 Re3 Ru2' _cell_volume 269.81017514 _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 0.50000000 0.00000000 0.00000000 1.0 Nb Nb1 1 0.00000000 0.50000000 0.00000000 1.0 Nb Nb2 1 0.25056384 0.25056384 0.25126634 1.0 Nb Nb3 1 0.74943616 0.25056384 0.25126634 1.0 Nb Nb4 1 0.25056384 0.74943616 0.25126634 1.0 Nb Nb5 1 0.74943616 0.74943616 0.25126634 1.0 Nb Nb6 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb7 1 0.25056384 0.25056384 0.74873366 1.0 Nb Nb8 1 0.74943616 0.25056384 0.74873366 1.0 Nb Nb9 1 0.25056384 0.74943616 0.74873366 1.0 Nb Nb10 1 0.74943616 0.74943616 0.74873366 1.0 Re Re11 1 0.00000000 0.00000000 0.00000000 1.0 Re Re12 1 0.50000000 0.00000000 0.50000000 1.0 Re Re13 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru14 1 0.50000000 0.50000000 0.00000000 1.0 Ru Ru15 1 0.50000000 0.50000000 0.50000000 1.0