# generated using pymatgen data_Hf6Ti2Bi9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.63407151 _cell_length_b 10.63407151 _cell_length_c 7.56829052 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Ti2Bi9 _chemical_formula_sum 'Hf12 Ti4 Bi18' _cell_volume 855.84860569 _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 0.25000000 0.25000000 0.08268322 1.0 Hf Hf1 1 0.60313543 0.25000000 0.15413848 1.0 Hf Hf2 1 0.89686457 0.25000000 0.15413848 1.0 Hf Hf3 1 0.25000000 0.60313543 0.15413848 1.0 Hf Hf4 1 0.25000000 0.89686457 0.15413848 1.0 Hf Hf5 1 0.75000000 0.75000000 0.43396191 1.0 Hf Hf6 1 0.25000000 0.25000000 0.56603809 1.0 Hf Hf7 1 0.75000000 0.10313543 0.84586152 1.0 Hf Hf8 1 0.75000000 0.39686457 0.84586152 1.0 Hf Hf9 1 0.10313543 0.75000000 0.84586152 1.0 Hf Hf10 1 0.39686457 0.75000000 0.84586152 1.0 Hf Hf11 1 0.75000000 0.75000000 0.91731678 1.0 Ti Ti12 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti13 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti14 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti15 1 0.50000000 0.50000000 0.00000000 1.0 Bi Bi16 1 0.75000000 0.51775222 0.19130064 1.0 Bi Bi17 1 0.51775222 0.75000000 0.19130064 1.0 Bi Bi18 1 0.98224778 0.75000000 0.19130064 1.0 Bi Bi19 1 0.75000000 0.98224778 0.19130064 1.0 Bi Bi20 1 0.08199554 0.08199554 0.34563679 1.0 Bi Bi21 1 0.41800446 0.08199554 0.34563679 1.0 Bi Bi22 1 0.08199554 0.41800446 0.34563679 1.0 Bi Bi23 1 0.41800446 0.41800446 0.34563679 1.0 Bi Bi24 1 0.75000000 0.25000000 0.49999900 1.0 Bi Bi25 1 0.25000000 0.75000000 0.49999900 1.0 Bi Bi26 1 0.58199554 0.58199554 0.65436321 1.0 Bi Bi27 1 0.91800446 0.58199554 0.65436321 1.0 Bi Bi28 1 0.58199554 0.91800446 0.65436321 1.0 Bi Bi29 1 0.91800446 0.91800446 0.65436321 1.0 Bi Bi30 1 0.25000000 0.01775222 0.80869936 1.0 Bi Bi31 1 0.01775222 0.25000000 0.80869936 1.0 Bi Bi32 1 0.48224878 0.25000000 0.80869936 1.0 Bi Bi33 1 0.25000000 0.48224878 0.80869936 1.0