# generated using pymatgen data_PaTiPd6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64730100 _cell_length_b 5.64728398 _cell_length_c 9.38494599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00005955 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaTiPd6 _chemical_formula_sum 'Pa2 Ti2 Pd12' _cell_volume 259.20460454 _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 0.33333277 0.66666499 0.25000000 1.0 Pa Pa1 1 0.66666723 0.33333501 0.75000000 1.0 Ti Ti2 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti3 1 0.00000000 0.00000000 0.00000000 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 0.83467255 0.66934712 0.25000000 1.0 Pd Pd11 1 0.33066067 0.16533112 0.25000000 1.0 Pd Pd12 1 0.83467171 0.16532696 0.25000000 1.0 Pd Pd13 1 0.16532745 0.33065288 0.75000000 1.0 Pd Pd14 1 0.66933933 0.83466888 0.75000000 1.0 Pd Pd15 1 0.16532829 0.83467304 0.75000000 1.0