# generated using pymatgen data_Ca2Tb3AgPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.28756568 _cell_length_b 9.28735199 _cell_length_c 6.84057849 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00007739 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Tb3AgPb3 _chemical_formula_sum 'Ca4 Tb6 Ag2 Pb6' _cell_volume 510.99532537 _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 0.66669124 0.33324991 0.49993572 1.0 Ca Ca1 1 0.33330876 0.66675009 0.50006428 1.0 Ca Ca2 1 0.33330876 0.66675009 0.99993572 1.0 Ca Ca3 1 0.66669124 0.33324991 0.00006428 1.0 Tb Tb4 1 0.73000647 0.73002347 0.25000000 1.0 Tb Tb5 1 0.27000187 0.00000375 0.25000000 1.0 Tb Tb6 1 0.00002059 0.27002495 0.25000000 1.0 Tb Tb7 1 0.26999353 0.26997653 0.75000000 1.0 Tb Tb8 1 0.72999813 0.99999625 0.75000000 1.0 Tb Tb9 1 0.99997941 0.72997505 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 0.38024432 0.38029014 0.25000000 1.0 Pb Pb13 1 0.61992309 0.00001111 0.25000000 1.0 Pb Pb14 1 0.99991295 0.61988050 0.25000000 1.0 Pb Pb15 1 0.61975568 0.61970986 0.75000000 1.0 Pb Pb16 1 0.38007691 0.99998889 0.75000000 1.0 Pb Pb17 1 0.00008705 0.38011950 0.75000000 1.0