# generated using pymatgen data_Ca(HgPd)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65256155 _cell_length_b 5.65256134 _cell_length_c 9.17648640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000121 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(HgPd)6 _chemical_formula_sum 'Ca1 Hg6 Pd6' _cell_volume 253.92042441 _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 0.00000000 1.0 Hg Hg1 1 0.66666700 0.33333300 0.00000000 1.0 Hg Hg2 1 0.33333300 0.66666700 0.00000000 1.0 Hg Hg3 1 0.00000000 0.00000000 0.32949029 1.0 Hg Hg4 1 0.66666700 0.33333300 0.50000000 1.0 Hg Hg5 1 0.33333300 0.66666700 0.50000000 1.0 Hg Hg6 1 0.00000000 0.00000000 0.67050971 1.0 Pd Pd7 1 0.50000100 0.00000000 0.24723292 1.0 Pd Pd8 1 0.00000000 0.49999900 0.24723292 1.0 Pd Pd9 1 0.50000000 0.49999900 0.24723292 1.0 Pd Pd10 1 0.50000100 0.00000000 0.75276708 1.0 Pd Pd11 1 0.00000000 0.49999900 0.75276708 1.0 Pd Pd12 1 0.50000000 0.49999900 0.75276708 1.0