# generated using pymatgen data_Pa3TiBi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52410466 _cell_length_b 9.52410419 _cell_length_c 6.30910333 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999811 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa3TiBi5 _chemical_formula_sum 'Pa6 Ti2 Bi10' _cell_volume 495.61743677 _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 Pa Pa0 1 0.61291277 0.00000000 0.25000000 1.0 Pa Pa1 1 0.38708723 0.00000000 0.75000000 1.0 Pa Pa2 1 0.38708723 0.38708723 0.25000000 1.0 Pa Pa3 1 0.00000000 0.61291277 0.25000000 1.0 Pa Pa4 1 0.00000000 0.38708723 0.75000000 1.0 Pa Pa5 1 0.61291277 0.61291277 0.75000000 1.0 Ti Ti6 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti7 1 0.00000000 0.00000000 0.50000000 1.0 Bi Bi8 1 0.26154677 0.26154677 0.75000000 1.0 Bi Bi9 1 0.73845323 0.73845323 0.25000000 1.0 Bi Bi10 1 0.33333300 0.66666700 0.50000000 1.0 Bi Bi11 1 0.00000000 0.26154677 0.25000000 1.0 Bi Bi12 1 0.26154677 0.00000000 0.25000000 1.0 Bi Bi13 1 0.73845323 1.00000000 0.75000000 1.0 Bi Bi14 1 0.66666700 0.33333300 0.00000000 1.0 Bi Bi15 1 0.00000000 0.73845323 0.75000000 1.0 Bi Bi16 1 0.33333300 0.66666700 0.00000000 1.0 Bi Bi17 1 0.66666700 0.33333300 0.50000000 1.0