# generated using pymatgen data_LiSc(Pa3Bi5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55036553 _cell_length_b 9.55036462 _cell_length_c 6.38084865 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999966 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSc(Pa3Bi5)2 _chemical_formula_sum 'Li1 Sc1 Pa6 Bi10' _cell_volume 504.02145400 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Pa Pa2 1 0.00000000 0.60969773 0.25014313 1.0 Pa Pa3 1 0.39030227 0.39030227 0.25014313 1.0 Pa Pa4 1 0.39030227 0.00000000 0.74985687 1.0 Pa Pa5 1 0.60969773 0.60969773 0.74985687 1.0 Pa Pa6 1 0.60969773 1.00000000 0.25014313 1.0 Pa Pa7 1 1.00000000 0.39030227 0.74985687 1.0 Bi Bi8 1 0.00000000 0.26347837 0.24705097 1.0 Bi Bi9 1 0.33333300 0.66666700 0.50000000 1.0 Bi Bi10 1 0.66666700 0.33333300 0.00000000 1.0 Bi Bi11 1 0.33333300 0.66666700 0.00000000 1.0 Bi Bi12 1 0.26347837 0.26347837 0.75294903 1.0 Bi Bi13 1 0.73652163 0.00000000 0.75294903 1.0 Bi Bi14 1 1.00000000 0.73652163 0.75294903 1.0 Bi Bi15 1 0.73652163 0.73652163 0.24705097 1.0 Bi Bi16 1 0.26347837 1.00000000 0.24705097 1.0 Bi Bi17 1 0.66666700 0.33333300 0.50000000 1.0