# generated using pymatgen data_Ca2Nd3AgPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50671164 _cell_length_b 9.50671327 _cell_length_c 6.95106868 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001469 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Nd3AgPb3 _chemical_formula_sum 'Ca4 Nd6 Ag2 Pb6' _cell_volume 544.05507212 _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 0.66666700 0.33333300 0.50000000 1.0 Ca Ca1 1 0.33333300 0.66666700 0.50000000 1.0 Ca Ca2 1 0.33333300 0.66666700 0.00000000 1.0 Ca Ca3 1 0.66666700 0.33333300 0.00000000 1.0 Nd Nd4 1 0.72653517 0.72653517 0.25000000 1.0 Nd Nd5 1 0.27346483 1.00000000 0.25000000 1.0 Nd Nd6 1 1.00000000 0.27346483 0.25000000 1.0 Nd Nd7 1 0.27346483 0.27346483 0.75000000 1.0 Nd Nd8 1 0.72653517 0.00000000 0.75000000 1.0 Nd Nd9 1 0.00000000 0.72653517 0.75000000 1.0 Ag Ag10 1 0.00000000 0.00000000 0.50000000 1.0 Ag Ag11 1 0.00000000 0.00000000 0.00000000 1.0 Pb Pb12 1 0.37893585 0.37893585 0.25000000 1.0 Pb Pb13 1 0.62106415 0.00000000 0.25000000 1.0 Pb Pb14 1 0.00000000 0.62106415 0.25000000 1.0 Pb Pb15 1 0.62106415 0.62106415 0.75000000 1.0 Pb Pb16 1 0.37893585 1.00000000 0.75000000 1.0 Pb Pb17 1 1.00000000 0.37893585 0.75000000 1.0