# generated using pymatgen data_Ca2Ag6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45788559 _cell_length_b 5.45788601 _cell_length_c 13.96983333 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.34998598 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ag6Pd _chemical_formula_sum 'Ca4 Ag12 Pd2' _cell_volume 359.11065781 _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 0.31418941 0.31418941 0.11958052 1.0 Ca Ca1 1 0.68581059 0.68581059 0.61958052 1.0 Ca Ca2 1 0.31418941 0.31418941 0.38041948 1.0 Ca Ca3 1 0.68581059 0.68581059 0.88041948 1.0 Ag Ag4 1 0.81724837 0.31971150 0.25000000 1.0 Ag Ag5 1 0.18275163 0.68028850 0.75000000 1.0 Ag Ag6 1 0.31971150 0.81724837 0.25000000 1.0 Ag Ag7 1 0.68028850 0.18275163 0.75000000 1.0 Ag Ag8 1 0.98022834 0.65793708 0.07609030 1.0 Ag Ag9 1 0.01977166 0.34206292 0.57609030 1.0 Ag Ag10 1 0.65793708 0.98022834 0.42390970 1.0 Ag Ag11 1 0.34206292 0.01977166 0.92390970 1.0 Ag Ag12 1 0.01977166 0.34206292 0.92390970 1.0 Ag Ag13 1 0.98022834 0.65793708 0.42390970 1.0 Ag Ag14 1 0.34206292 0.01977166 0.57609030 1.0 Ag Ag15 1 0.65793708 0.98022834 0.07609030 1.0 Pd Pd16 1 0.81979524 0.81979524 0.25000000 1.0 Pd Pd17 1 0.18020476 0.18020476 0.75000000 1.0