# generated using pymatgen data_Hf3TiOs2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52235223 _cell_length_b 8.52235222 _cell_length_c 8.52235151 _cell_angle_alpha 59.99999895 _cell_angle_beta 59.99999899 _cell_angle_gamma 60.00000149 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3TiOs2N _chemical_formula_sum 'Hf12 Ti4 Os8 N4' _cell_volume 437.68675249 _cell_formula_units_Z 4 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 0.81107438 0.81107438 0.18892562 1.0 Hf Hf1 1 0.18892562 0.18892562 0.81107438 1.0 Hf Hf2 1 0.81107438 0.18892562 0.81107438 1.0 Hf Hf3 1 0.18892562 0.81107438 0.18892562 1.0 Hf Hf4 1 0.18892562 0.81107438 0.81107438 1.0 Hf Hf5 1 0.81107438 0.18892562 0.18892562 1.0 Hf Hf6 1 0.43892562 0.43892562 0.06107438 1.0 Hf Hf7 1 0.06107438 0.06107438 0.43892562 1.0 Hf Hf8 1 0.43892562 0.06107438 0.43892562 1.0 Hf Hf9 1 0.06107438 0.43892562 0.06107438 1.0 Hf Hf10 1 0.06107438 0.43892562 0.43892562 1.0 Hf Hf11 1 0.43892562 0.06107438 0.06107438 1.0 Ti Ti12 1 0.12500000 0.62500000 0.62500000 1.0 Ti Ti13 1 0.62500000 0.12500000 0.62500000 1.0 Ti Ti14 1 0.62500000 0.62500000 0.12500000 1.0 Ti Ti15 1 0.62500000 0.62500000 0.62500000 1.0 Os Os16 1 0.75215597 0.41594734 0.41594734 1.0 Os Os17 1 0.41594734 0.75215597 0.41594734 1.0 Os Os18 1 0.41594734 0.41594734 0.75215597 1.0 Os Os19 1 0.41594734 0.41594734 0.41594734 1.0 Os Os20 1 0.49784403 0.83405266 0.83405266 1.0 Os Os21 1 0.83405266 0.49784403 0.83405266 1.0 Os Os22 1 0.83405266 0.83405266 0.49784403 1.0 Os Os23 1 0.83405266 0.83405266 0.83405266 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0