# generated using pymatgen data_Sm7Th3(Pb3Cl)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46143444 _cell_length_b 9.46143351 _cell_length_c 6.66606383 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999634 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm7Th3(Pb3Cl)2 _chemical_formula_sum 'Sm7 Th3 Pb6 Cl2' _cell_volume 516.78992860 _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 Sm Sm0 1 0.33333300 0.66666700 0.50000000 1.0 Sm Sm1 1 0.26402407 0.00188228 0.24968498 1.0 Sm Sm2 1 0.73785822 0.00188228 0.75031502 1.0 Sm Sm3 1 0.99811772 0.26214178 0.24968498 1.0 Sm Sm4 1 0.99811772 0.73597593 0.75031502 1.0 Sm Sm5 1 0.73785822 0.73597593 0.24968498 1.0 Sm Sm6 1 0.26402407 0.26214178 0.75031502 1.0 Th Th7 1 0.33333300 0.66666700 0.00000000 1.0 Th Th8 1 0.66666700 0.33333300 0.00000000 1.0 Th Th9 1 0.66666700 0.33333300 0.50000000 1.0 Pb Pb10 1 0.61394557 0.99628050 0.25222206 1.0 Pb Pb11 1 0.38233493 0.99628050 0.74777794 1.0 Pb Pb12 1 0.00371950 0.61766507 0.25222206 1.0 Pb Pb13 1 0.00371950 0.38605443 0.74777794 1.0 Pb Pb14 1 0.38233493 0.38605443 0.25222206 1.0 Pb Pb15 1 0.61394557 0.61766507 0.74777794 1.0 Cl Cl16 1 0.00000000 0.00000000 0.00000000 1.0 Cl Cl17 1 0.00000000 0.00000000 0.50000000 1.0