# generated using pymatgen data_Nb12Sn3Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31285604 _cell_length_b 5.32247753 _cell_length_c 10.64492757 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb12Sn3Sb _chemical_formula_sum 'Nb12 Sn3 Sb1' _cell_volume 301.01254498 _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 0.00000000 0.50000000 0.37655097 1.0 Nb Nb1 1 0.00000000 0.50000000 0.87659507 1.0 Nb Nb2 1 0.50000000 0.24952130 -0.00000000 1.0 Nb Nb3 1 0.50000000 0.24736689 0.50000000 1.0 Nb Nb4 1 0.75194209 -0.00000000 0.25100851 1.0 Nb Nb5 1 0.75194209 -0.00000000 0.74899149 1.0 Nb Nb6 1 0.00000000 0.50000000 0.12340493 1.0 Nb Nb7 1 0.00000000 0.50000000 0.62344903 1.0 Nb Nb8 1 0.50000000 0.75047870 -0.00000000 1.0 Nb Nb9 1 0.50000000 0.75263311 0.50000000 1.0 Nb Nb10 1 0.24805791 -0.00000000 0.25100851 1.0 Nb Nb11 1 0.24805791 -0.00000000 0.74899149 1.0 Sn Sn12 1 0.50000000 0.50000000 0.24996010 1.0 Sn Sn13 1 0.50000000 0.50000000 0.75003990 1.0 Sn Sn14 1 0.00000000 -0.00000000 -0.00000000 1.0 Sb Sb15 1 0.00000000 -0.00000000 0.50000000 1.0