# generated using pymatgen data_Ca5Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42514228 _cell_length_b 9.42514228 _cell_length_c 6.92773576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000704 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Pb3 _chemical_formula_sum 'Ca10 Pb6' _cell_volume 532.96384108 _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 Ca Ca4 1 0.72784216 0.72784216 0.25000000 1.0 Ca Ca5 1 0.27215684 -0.00000000 0.25000000 1.0 Ca Ca6 1 -0.00000000 0.27215684 0.25000000 1.0 Ca Ca7 1 0.27215784 0.27215784 0.75000000 1.0 Ca Ca8 1 0.72784316 0.00000000 0.75000000 1.0 Ca Ca9 1 0.00000000 0.72784316 0.75000000 1.0 Pb Pb10 1 0.38455839 0.38455839 0.25000000 1.0 Pb Pb11 1 0.61544161 -0.00000000 0.25000000 1.0 Pb Pb12 1 -0.00000000 0.61544161 0.25000000 1.0 Pb Pb13 1 0.61544161 0.61544161 0.75000000 1.0 Pb Pb14 1 0.38455839 0.00000000 0.75000000 1.0 Pb Pb15 1 0.00000000 0.38455839 0.75000000 1.0