# generated using pymatgen data_Ca5Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.44440210 _cell_length_b 16.44440210 _cell_length_c 6.91977800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000041 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Pb3 _chemical_formula_sum 'Ca30 Pb18' _cell_volume 1620.53705859 _cell_formula_units_Z 6 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 0.48844900 0.24422500 0.25685100 1.0 Ca Ca1 1 0.08935900 0.91064100 0.25586200 1.0 Ca Ca2 1 0.00230300 0.66737100 0.00932700 1.0 Ca Ca3 1 0.84594700 0.42297300 0.76560100 1.0 Ca Ca4 1 0.24422500 0.75577500 0.75685100 1.0 Ca Ca5 1 0.42297300 0.57702700 0.26560100 1.0 Ca Ca6 1 0.57702700 0.15405300 0.76560100 1.0 Ca Ca7 1 0.66737100 0.66506800 0.50932700 1.0 Ca Ca8 1 0.75577500 0.51155100 0.25685100 1.0 Ca Ca9 1 0.08935900 0.17871800 0.25586200 1.0 Ca Ca10 1 0.24422500 0.48844900 0.75685100 1.0 Ca Ca11 1 0.57702700 0.42297300 0.76560100 1.0 Ca Ca12 1 0.33493200 0.33262900 0.50932700 1.0 Ca Ca13 1 0.00230300 0.33493200 0.00932700 1.0 Ca Ca14 1 0.66506800 0.99769700 0.00932700 1.0 Ca Ca15 1 0.99769700 0.66506800 0.50932700 1.0 Ca Ca16 1 0.42297300 0.84594700 0.26560100 1.0 Ca Ca17 1 0.33262900 0.33493200 0.00932700 1.0 Ca Ca18 1 0.15405300 0.57702700 0.26560100 1.0 Ca Ca19 1 0.82128200 0.91064100 0.25586200 1.0 Ca Ca20 1 0.99769700 0.33262900 0.50932700 1.0 Ca Ca21 1 0.33262900 0.99769700 0.00932700 1.0 Ca Ca22 1 0.91064100 0.08935900 0.75586200 1.0 Ca Ca23 1 0.75577500 0.24422500 0.25685100 1.0 Ca Ca24 1 0.66737100 0.00230300 0.50932700 1.0 Ca Ca25 1 0.91064100 0.82128200 0.75586200 1.0 Ca Ca26 1 0.66506800 0.66737100 0.00932700 1.0 Ca Ca27 1 0.51155100 0.75577500 0.75685100 1.0 Ca Ca28 1 0.17871800 0.08935900 0.75586200 1.0 Ca Ca29 1 0.33493200 0.00230300 0.50932700 1.0 Pb Pb30 1 0.92316400 0.46158200 0.26198300 1.0 Pb Pb31 1 0.12888300 0.87111700 0.74599500 1.0 Pb Pb32 1 0.87111700 0.74223300 0.24599500 1.0 Pb Pb33 1 0.87111700 0.12888300 0.24599500 1.0 Pb Pb34 1 0.20430500 0.40860900 0.26905300 1.0 Pb Pb35 1 0.74223300 0.87111700 0.74599500 1.0 Pb Pb36 1 0.12888300 0.25776700 0.74599500 1.0 Pb Pb37 1 0.20430500 0.79569500 0.26905300 1.0 Pb Pb38 1 0.53841800 0.46158200 0.26198300 1.0 Pb Pb39 1 0.79569500 0.20430500 0.76905300 1.0 Pb Pb40 1 0.07683600 0.53841800 0.76198300 1.0 Pb Pb41 1 0.25776700 0.12888300 0.24599500 1.0 Pb Pb42 1 0.59139100 0.79569500 0.26905300 1.0 Pb Pb43 1 0.79569500 0.59139100 0.76905300 1.0 Pb Pb44 1 0.40860900 0.20430500 0.76905300 1.0 Pb Pb45 1 0.46158200 0.53841800 0.76198300 1.0 Pb Pb46 1 0.53841800 0.07683600 0.26198300 1.0 Pb Pb47 1 0.46158200 0.92316400 0.76198300 1.0