# generated using pymatgen data_Ti3Al2PdN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15587860 _cell_length_b 8.15587920 _cell_length_c 8.15587942 _cell_angle_alpha 60.00000310 _cell_angle_beta 60.00000066 _cell_angle_gamma 59.99999826 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3Al2PdN _chemical_formula_sum 'Ti12 Al8 Pd4 N4' _cell_volume 383.61655631 _cell_formula_units_Z 4 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 0.81874013 0.81874013 0.18125987 1.0 Ti Ti1 1 0.06874013 0.43125987 0.43125987 1.0 Ti Ti2 1 0.43125987 0.06874013 0.06874013 1.0 Ti Ti3 1 0.06874013 0.06874013 0.43125987 1.0 Ti Ti4 1 0.06874013 0.43125987 0.06874013 1.0 Ti Ti5 1 0.43125987 0.06874013 0.43125987 1.0 Ti Ti6 1 0.18125987 0.81874013 0.18125987 1.0 Ti Ti7 1 0.18125987 0.81874013 0.81874013 1.0 Ti Ti8 1 0.81874013 0.18125987 0.18125987 1.0 Ti Ti9 1 0.81874013 0.18125987 0.81874013 1.0 Ti Ti10 1 0.43125987 0.43125987 0.06874013 1.0 Ti Ti11 1 0.18125987 0.18125987 0.81874013 1.0 Al Al12 1 0.41565484 0.75303449 0.41565484 1.0 Al Al13 1 0.83434516 0.83434516 0.49696551 1.0 Al Al14 1 0.49696551 0.83434516 0.83434516 1.0 Al Al15 1 0.83434516 0.83434516 0.83434516 1.0 Al Al16 1 0.75303449 0.41565484 0.41565484 1.0 Al Al17 1 0.41565484 0.41565484 0.41565484 1.0 Al Al18 1 0.41565484 0.41565484 0.75303449 1.0 Al Al19 1 0.83434516 0.49696551 0.83434516 1.0 Pd Pd20 1 0.62500000 0.12500000 0.62500000 1.0 Pd Pd21 1 0.62500000 0.62500000 0.12500000 1.0 Pd Pd22 1 0.12500000 0.62500000 0.62500000 1.0 Pd Pd23 1 0.62500000 0.62500000 0.62500000 1.0 N N24 1 0.12500000 0.62500000 0.12500000 1.0 N N25 1 0.12500000 0.12500000 0.62500000 1.0 N N26 1 0.62500000 0.12500000 0.12500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0