# generated using pymatgen data_Pa(Ti3Bi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49542345 _cell_length_b 8.49542268 _cell_length_c 8.49542252 _cell_angle_alpha 40.29499813 _cell_angle_beta 40.29500105 _cell_angle_gamma 40.29500505 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa(Ti3Bi2)2 _chemical_formula_sum 'Pa1 Ti6 Bi4' _cell_volume 231.19411966 _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 Pa Pa0 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti1 1 0.59385988 0.59385988 0.12214344 1.0 Ti Ti2 1 0.87785556 0.40614012 0.40614012 1.0 Ti Ti3 1 0.40614012 0.87785556 0.40614012 1.0 Ti Ti4 1 0.59385988 0.12214444 0.59385988 1.0 Ti Ti5 1 0.12214444 0.59385988 0.59385988 1.0 Ti Ti6 1 0.40614012 0.40614012 0.87785556 1.0 Bi Bi7 1 0.13166126 0.13166126 0.13166126 1.0 Bi Bi8 1 0.33084922 0.33084922 0.33084922 1.0 Bi Bi9 1 0.66915078 0.66915078 0.66915078 1.0 Bi Bi10 1 0.86833874 0.86833874 0.86833874 1.0