# generated using pymatgen data_Pa2TiInPd12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67999133 _cell_length_b 5.67999158 _cell_length_c 9.41314164 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999285 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2TiInPd12 _chemical_formula_sum 'Pa2 Ti1 In1 Pd12' _cell_volume 263.00295071 _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 0.33333300 0.66666700 0.25252680 1.0 Pa Pa1 1 0.66666700 0.33333300 0.74747320 1.0 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1.0 In In3 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd4 1 0.50000000 0.50000000 0.50000000 1.0 Pd Pd5 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd6 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd7 1 0.50000000 0.50000000 0.00000000 1.0 Pd Pd8 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd9 1 0.00000000 0.50000000 0.00000000 1.0 Pd Pd10 1 0.83296827 0.66593653 0.24276017 1.0 Pd Pd11 1 0.33406347 0.16703173 0.24276017 1.0 Pd Pd12 1 0.83296827 0.16703173 0.24276017 1.0 Pd Pd13 1 0.16703173 0.33406347 0.75723983 1.0 Pd Pd14 1 0.66593653 0.83296827 0.75723983 1.0 Pd Pd15 1 0.16703173 0.83296827 0.75723983 1.0