# generated using pymatgen data_Tb3CrS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77874971 _cell_length_b 13.33567874 _cell_length_c 15.97057998 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3CrS6 _chemical_formula_sum 'Tb12 Cr4 S24' _cell_volume 804.79253544 _cell_formula_units_Z 4 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 0.00000000 0.54991415 0.27937169 1.0 Tb Tb1 1 -0.00000000 0.45008585 0.72062831 1.0 Tb Tb2 1 0.50000000 0.95008585 0.77937169 1.0 Tb Tb3 1 0.50000000 0.04991415 0.22062831 1.0 Tb Tb4 1 -0.00000000 0.75688471 0.09824968 1.0 Tb Tb5 1 0.00000000 0.24311529 0.90175032 1.0 Tb Tb6 1 0.50000000 0.74311529 0.59824968 1.0 Tb Tb7 1 0.50000000 0.25688471 0.40175032 1.0 Tb Tb8 1 -0.00000000 0.31868778 0.14759851 1.0 Tb Tb9 1 0.00000000 0.68131222 0.85240149 1.0 Tb Tb10 1 0.50000000 0.18131222 0.64759851 1.0 Tb Tb11 1 0.50000000 0.81868778 0.35240149 1.0 Cr Cr12 1 -0.00000000 0.00000000 0.50000000 1.0 Cr Cr13 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr14 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr15 1 0.50000000 0.50000000 0.50000000 1.0 S S16 1 -0.00000000 0.12010928 0.10761550 1.0 S S17 1 0.00000000 0.87989072 0.89238450 1.0 S S18 1 0.50000000 0.37989072 0.60761550 1.0 S S19 1 0.50000000 0.62010928 0.39238450 1.0 S S20 1 -0.00000000 0.18872009 0.28968067 1.0 S S21 1 -0.00000000 0.81127991 0.71031933 1.0 S S22 1 0.50000000 0.31127991 0.78968067 1.0 S S23 1 0.50000000 0.68872009 0.21031933 1.0 S S24 1 -0.00000000 0.17983006 0.52000765 1.0 S S25 1 -0.00000000 0.82016994 0.47999235 1.0 S S26 1 0.50000000 0.32016994 0.02000765 1.0 S S27 1 0.50000000 0.67983006 0.97999235 1.0 S S28 1 -0.00000000 0.52182767 0.09738405 1.0 S S29 1 -0.00000000 0.47817233 0.90261595 1.0 S S30 1 0.50000000 0.97817233 0.59738405 1.0 S S31 1 0.50000000 0.02182767 0.40261595 1.0 S S32 1 -0.00000000 0.10309795 0.75302568 1.0 S S33 1 0.00000000 0.89690205 0.24697432 1.0 S S34 1 0.50000000 0.39690205 0.25302568 1.0 S S35 1 0.50000000 0.60309795 0.74697432 1.0 S S36 1 0.00000000 0.41759772 0.42527200 1.0 S S37 1 0.00000000 0.58240228 0.57472800 1.0 S S38 1 0.50000000 0.08240228 0.92527200 1.0 S S39 1 0.50000000 0.91759772 0.07472800 1.0