# generated using pymatgen data_Tb2SmS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25654246 _cell_length_b 7.25654246 _cell_length_c 7.25654246 _cell_angle_alpha 109.34363396 _cell_angle_beta 109.34363396 _cell_angle_gamma 109.72669644 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2SmS4 _chemical_formula_sum 'Tb4 Sm2 S8' _cell_volume 294.14458185 _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 Tb Tb0 1 0.99916200 0.37500000 0.12416200 1.0 Tb Tb1 1 0.12500000 0.00083800 0.37583800 1.0 Tb Tb2 1 0.25083800 0.87500000 0.87583800 1.0 Tb Tb3 1 0.62500000 0.74916200 0.62416200 1.0 Sm Sm4 1 0.50000000 0.50000000 0.00000000 1.0 Sm Sm5 1 0.75000000 0.25000000 0.50000000 1.0 S S6 1 0.87759300 0.62906700 0.89817900 1.0 S S7 1 0.87906700 0.62759300 0.39817900 1.0 S S8 1 0.37240700 0.77058600 0.25147400 1.0 S S9 1 0.02058600 0.12240700 0.75147400 1.0 S S10 1 0.22941400 0.48088800 0.60182100 1.0 S S11 1 0.51911200 0.12093300 0.74852600 1.0 S S12 1 0.37093300 0.26911200 0.24852600 1.0 S S13 1 0.73088800 0.97941400 0.10182100 1.0