# generated using pymatgen data_Ca4(PPd)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.73042335 _cell_length_b 15.73042335 _cell_length_c 8.26349500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 164.89491799 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4(PPd)5 _chemical_formula_sum 'Ca8 P10 Pd10' _cell_volume 532.84706084 _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 Ca Ca0 1 0.80605100 0.19394900 0.49470300 1.0 Ca Ca1 1 0.19394900 0.80605100 0.50529700 1.0 Ca Ca2 1 0.19394900 0.80605100 0.99470300 1.0 Ca Ca3 1 0.80605100 0.19394900 0.00529700 1.0 Ca Ca4 1 0.57961600 0.42038400 0.99864100 1.0 Ca Ca5 1 0.42038400 0.57961600 0.49864100 1.0 Ca Ca6 1 0.42038400 0.57961600 0.00135900 1.0 Ca Ca7 1 0.57961600 0.42038400 0.50135900 1.0 P P8 1 0.27085400 0.72914600 0.75000000 1.0 P P9 1 0.04445400 0.95554600 0.75000000 1.0 P P10 1 0.04554800 0.95445200 0.25000000 1.0 P P11 1 0.95554600 0.04445400 0.25000000 1.0 P P12 1 0.95445200 0.04554800 0.75000000 1.0 P P13 1 0.65774600 0.34225400 0.25000000 1.0 P P14 1 0.34225400 0.65774600 0.75000000 1.0 P P15 1 0.34279300 0.65720700 0.25000000 1.0 P P16 1 0.72914600 0.27085400 0.25000000 1.0 P P17 1 0.65720700 0.34279300 0.75000000 1.0 Pd Pd18 1 0.73438000 0.26562000 0.75000000 1.0 Pd Pd19 1 0.26562000 0.73438000 0.25000000 1.0 Pd Pd20 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd21 1 0.87881700 0.12118300 0.75000000 1.0 Pd Pd22 1 0.12118300 0.87881700 0.25000000 1.0 Pd Pd23 1 0.11959300 0.88040700 0.75000000 1.0 Pd Pd24 1 0.88040700 0.11959300 0.25000000 1.0 Pd Pd25 1 0.49986900 0.50013100 0.75000000 1.0 Pd Pd26 1 0.50013100 0.49986900 0.25000000 1.0 Pd Pd27 1 0.00000000 0.00000000 0.00000000 1.0