# generated using pymatgen data_Ac4LaPb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.92179098 _cell_length_b 9.92179162 _cell_length_c 7.45705600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00742496 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac4LaPb3S _chemical_formula_sum 'Ac8 La2 Pb6 S2' _cell_volume 635.69048864 _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 Ac Ac0 1 0.75370763 0.75370763 0.75000000 1.0 Ac Ac1 1 0.24342248 0.99849071 0.75000000 1.0 Ac Ac2 1 0.99849071 0.24342248 0.75000000 1.0 Ac Ac3 1 0.24560016 0.24560016 0.25000000 1.0 Ac Ac4 1 0.66792808 0.33330640 0.00541350 1.0 Ac Ac5 1 0.33330640 0.66792808 0.00541350 1.0 Ac Ac6 1 0.33330640 0.66792808 0.49458650 1.0 Ac Ac7 1 0.66792808 0.33330640 0.49458650 1.0 La La8 1 0.75976435 0.00002348 0.25000000 1.0 La La9 1 0.00002348 0.75976435 0.25000000 1.0 Pb Pb10 1 0.39514810 0.39514810 0.75000000 1.0 Pb Pb11 1 0.60350380 0.99963469 0.75000000 1.0 Pb Pb12 1 0.99963469 0.60350380 0.75000000 1.0 Pb Pb13 1 0.61331439 0.61331439 0.25000000 1.0 Pb Pb14 1 0.39300909 0.99714770 0.25000000 1.0 Pb Pb15 1 0.99714770 0.39300909 0.25000000 1.0 S S16 1 0.99738172 0.99738172 0.00375956 1.0 S S17 1 0.99738172 0.99738172 0.49624044 1.0