# generated using pymatgen data_Ba6Li2Ag21Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.95061324 _cell_length_b 9.95061219 _cell_length_c 8.29107258 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999706 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Li2Ag21Pb _chemical_formula_sum 'Ba6 Li2 Ag21 Pb1' _cell_volume 710.95319207 _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 Ba Ba0 1 0.52487130 0.04974360 0.24911287 1.0 Ba Ba1 1 0.47805466 0.95610933 0.75194049 1.0 Ba Ba2 1 0.95025640 0.47512870 0.24911287 1.0 Ba Ba3 1 0.04389067 0.52194534 0.75194049 1.0 Ba Ba4 1 0.52487130 0.47512870 0.24911287 1.0 Ba Ba5 1 0.47805466 0.52194534 0.75194049 1.0 Li Li6 1 0.00000000 0.00000000 0.00139682 1.0 Li Li7 1 0.00000000 0.00000000 0.49935771 1.0 Ag Ag8 1 0.16381519 0.32762938 0.06525256 1.0 Ag Ag9 1 0.83600179 0.67200358 0.93710442 1.0 Ag Ag10 1 0.67237062 0.83618481 0.06525256 1.0 Ag Ag11 1 0.83603139 0.67206178 0.56404537 1.0 Ag Ag12 1 0.32799642 0.16399821 0.93710442 1.0 Ag Ag13 1 0.16266617 0.32533134 0.43453238 1.0 Ag Ag14 1 0.16381519 0.83618481 0.06525256 1.0 Ag Ag15 1 0.32793822 0.16396861 0.56404537 1.0 Ag Ag16 1 0.83600179 0.16399821 0.93710442 1.0 Ag Ag17 1 0.67466866 0.83733383 0.43453238 1.0 Ag Ag18 1 0.83603139 0.16396861 0.56404537 1.0 Ag Ag19 1 0.16266617 0.83733383 0.43453238 1.0 Ag Ag20 1 0.90050956 0.80101812 0.25041707 1.0 Ag Ag21 1 0.09902160 0.19804120 0.75031439 1.0 Ag Ag22 1 0.19898188 0.09949044 0.25041707 1.0 Ag Ag23 1 0.80195880 0.90097840 0.75031439 1.0 Ag Ag24 1 0.90050956 0.09949044 0.25041707 1.0 Ag Ag25 1 0.09902160 0.90097840 0.75031439 1.0 Ag Ag26 1 0.33333300 0.66666700 0.06767105 1.0 Ag Ag27 1 0.66666700 0.33333300 0.92411501 1.0 Ag Ag28 1 0.66666700 0.33333300 0.57462790 1.0 Pb Pb29 1 0.33333300 0.66666700 0.42467286 1.0