# generated using pymatgen data_Ca(PaPd4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76522966 _cell_length_b 5.76523009 _cell_length_c 9.68377730 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999758 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(PaPd4)3 _chemical_formula_sum 'Ca1 Pa3 Pd12' _cell_volume 278.74603115 _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 Ca Ca0 1 0.00000000 0.00000000 0.50000000 1.0 Pa Pa1 1 0.00000000 0.00000000 0.00000000 1.0 Pa Pa2 1 0.33333300 0.66666700 0.74004533 1.0 Pa Pa3 1 0.66666700 0.33333300 0.25995467 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 0.17083584 0.82916416 0.24431197 1.0 Pd Pd11 1 0.17083584 0.34167268 0.24431197 1.0 Pd Pd12 1 0.65832732 0.82916416 0.24431197 1.0 Pd Pd13 1 0.82916416 0.17083584 0.75568803 1.0 Pd Pd14 1 0.82916416 0.65832732 0.75568803 1.0 Pd Pd15 1 0.34167268 0.17083584 0.75568803 1.0