# generated using pymatgen data_Hf3Nb2Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31621556 _cell_length_b 8.31621592 _cell_length_c 5.57233889 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999854 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Nb2Sn3 _chemical_formula_sum 'Hf6 Nb4 Sn6' _cell_volume 333.74875442 _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 Hf Hf0 1 0.75643822 0.75643822 0.25000000 1.0 Hf Hf1 1 0.75643822 0.00000000 0.75000000 1.0 Hf Hf2 1 1.00000000 0.24356178 0.25000000 1.0 Hf Hf3 1 0.24356178 0.24356178 0.75000000 1.0 Hf Hf4 1 0.24356178 0.00000000 0.25000000 1.0 Hf Hf5 1 0.00000000 0.75643822 0.75000000 1.0 Nb Nb6 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb7 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb8 1 0.33333300 0.66666700 0.50000000 1.0 Nb Nb9 1 0.33333300 0.66666700 0.00000000 1.0 Sn Sn10 1 0.60427022 0.00000000 0.25000000 1.0 Sn Sn11 1 0.60427022 0.60427022 0.75000000 1.0 Sn Sn12 1 0.00000000 0.39572978 0.75000000 1.0 Sn Sn13 1 1.00000000 0.60427022 0.25000000 1.0 Sn Sn14 1 0.39572978 0.39572978 0.25000000 1.0 Sn Sn15 1 0.39572978 0.00000000 0.75000000 1.0