# generated using pymatgen data_Ti8Bi9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43062096 _cell_length_b 10.28859577 _cell_length_c 10.28859577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Bi9 _chemical_formula_sum 'Ti16 Bi18' _cell_volume 786.56988953 _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 Ti Ti0 1 0.42534037 0.75000000 0.75000000 1.0 Ti Ti1 1 0.84955639 0.75000000 0.10745774 1.0 Ti Ti2 1 0.08141908 0.25000000 0.25000000 1.0 Ti Ti3 1 0.15044461 0.89254226 0.25000000 1.0 Ti Ti4 1 0.15044461 0.60745774 0.25000000 1.0 Ti Ti5 1 0.15044361 0.25000000 0.89254226 1.0 Ti Ti6 1 0.91858092 0.75000000 0.75000000 1.0 Ti Ti7 1 0.84955639 0.75000000 0.39254226 1.0 Ti Ti8 1 0.15044361 0.25000000 0.60745774 1.0 Ti Ti9 1 -0.00000000 0.50000000 0.50000000 1.0 Ti Ti10 1 0.84955539 0.10745774 0.75000000 1.0 Ti Ti11 1 0.57465963 0.25000000 0.25000000 1.0 Ti Ti12 1 -0.00000000 0.00000000 0.00000000 1.0 Ti Ti13 1 0.84955539 0.39254226 0.75000000 1.0 Ti Ti14 1 -0.00000000 0.50000000 0.00000000 1.0 Ti Ti15 1 -0.00000000 0.00000000 0.50000000 1.0 Bi Bi16 1 0.65416864 0.91451239 0.91451239 1.0 Bi Bi17 1 0.19052208 0.98652571 0.75000000 1.0 Bi Bi18 1 0.50000000 0.75000000 0.25000000 1.0 Bi Bi19 1 0.34583136 0.41451239 0.41451239 1.0 Bi Bi20 1 0.80947792 0.25000000 0.48652571 1.0 Bi Bi21 1 0.65416864 0.58548761 0.91451239 1.0 Bi Bi22 1 0.80947792 0.01347429 0.25000000 1.0 Bi Bi23 1 0.19052208 0.75000000 0.98652571 1.0 Bi Bi24 1 0.19052208 0.51347429 0.75000000 1.0 Bi Bi25 1 0.19052208 0.75000000 0.51347429 1.0 Bi Bi26 1 0.65416864 0.58548761 0.58548761 1.0 Bi Bi27 1 0.80947792 0.25000000 0.01347429 1.0 Bi Bi28 1 0.50000000 0.25000000 0.75000000 1.0 Bi Bi29 1 0.80947792 0.48652571 0.25000000 1.0 Bi Bi30 1 0.34583136 0.08548761 0.41451239 1.0 Bi Bi31 1 0.34583136 0.08548761 0.08548761 1.0 Bi Bi32 1 0.65416864 0.91451239 0.58548761 1.0 Bi Bi33 1 0.34583136 0.41451239 0.08548761 1.0