# generated using pymatgen data_Hf6Ti16Ir3Os4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90630469 _cell_length_b 8.90815461 _cell_length_c 8.90714597 _cell_angle_alpha 59.99002028 _cell_angle_beta 60.00023025 _cell_angle_gamma 59.99938325 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Ti16Ir3Os4 _chemical_formula_sum 'Hf6 Ti16 Ir3 Os4' _cell_volume 499.66028571 _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 Hf Hf0 1 0.68418907 0.31560224 0.31581093 1.0 Hf Hf1 1 0.31581093 0.68439776 0.68418907 1.0 Hf Hf2 1 0.31677193 0.68322807 0.31677193 1.0 Hf Hf3 1 0.68322807 0.31677193 0.68322807 1.0 Hf Hf4 1 0.31779774 0.31769762 0.68220226 1.0 Hf Hf5 1 0.68220226 0.68230238 0.31779774 1.0 Ti Ti6 1 0.33166258 0.33092318 0.33264086 1.0 Ti Ti7 1 0.66833742 0.66907682 0.66735914 1.0 Ti Ti8 1 0.33215347 0.33024987 0.00638768 1.0 Ti Ti9 1 0.33264086 0.00477338 0.33166258 1.0 Ti Ti10 1 0.66784653 0.66975013 0.99361232 1.0 Ti Ti11 1 0.66735914 0.99522662 0.66833742 1.0 Ti Ti12 1 0.00638768 0.33120898 0.33215347 1.0 Ti Ti13 1 0.99361232 0.66879102 0.66784653 1.0 Ti Ti14 1 0.11998877 0.11587574 0.11663043 1.0 Ti Ti15 1 0.88001123 0.88412426 0.88336957 1.0 Ti Ti16 1 0.11894177 0.11763819 0.64829903 1.0 Ti Ti17 1 0.11663043 0.64750506 0.11998877 1.0 Ti Ti18 1 0.88105823 0.88236181 0.35170097 1.0 Ti Ti19 1 0.88336957 0.35249494 0.88001123 1.0 Ti Ti20 1 0.64829903 0.11512100 0.11894177 1.0 Ti Ti21 1 0.35170097 0.88487900 0.88105823 1.0 Ir Ir22 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.50000000 0.00000000 1.0 Os Os25 1 0.50000000 0.00000000 0.00000000 1.0 Os Os26 1 0.00000000 0.50000000 0.50000000 1.0 Os Os27 1 0.50000000 0.00000000 0.50000000 1.0 Os Os28 1 0.00000000 0.00000000 0.00000000 1.0