# generated using pymatgen data_Tb4In5S13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88805300 _cell_length_b 11.89861100 _cell_length_c 21.48763900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4In5S13 _chemical_formula_sum 'Tb8 In10 S26' _cell_volume 994.07039928 _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 0.00000000 0.67053400 0.34050700 1.0 Tb Tb1 1 0.00000000 0.32946600 0.65949300 1.0 Tb Tb2 1 0.00000000 0.82946600 0.84050700 1.0 Tb Tb3 1 0.00000000 0.17053400 0.15949300 1.0 Tb Tb4 1 0.00000000 0.51493200 0.17080100 1.0 Tb Tb5 1 0.00000000 0.48506800 0.82919900 1.0 Tb Tb6 1 0.00000000 0.98506800 0.67080100 1.0 Tb Tb7 1 0.00000000 0.01493200 0.32919900 1.0 In In8 1 0.00000000 0.50000000 0.50000000 1.0 In In9 1 0.00000000 0.00000000 0.00000000 1.0 In In10 1 0.50000000 0.84471500 0.49298200 1.0 In In11 1 0.50000000 0.15528500 0.50701800 1.0 In In12 1 0.50000000 0.65528500 0.99298200 1.0 In In13 1 0.50000000 0.34471500 0.00701800 1.0 In In14 1 0.50000000 0.84429100 0.17078800 1.0 In In15 1 0.50000000 0.15570900 0.82921200 1.0 In In16 1 0.50000000 0.65570900 0.67078800 1.0 In In17 1 0.50000000 0.34429100 0.32921200 1.0 S S18 1 0.50000000 0.84789200 0.36613100 1.0 S S19 1 0.50000000 0.15210800 0.63386900 1.0 S S20 1 0.50000000 0.65210800 0.86613100 1.0 S S21 1 0.50000000 0.34789200 0.13386900 1.0 S S22 1 0.50000000 0.57923700 0.26048900 1.0 S S23 1 0.50000000 0.42076300 0.73951100 1.0 S S24 1 0.50000000 0.92076300 0.76048900 1.0 S S25 1 0.50000000 0.07923700 0.23951100 1.0 S S26 1 0.50000000 0.50512700 0.40555900 1.0 S S27 1 0.50000000 0.49487300 0.59444100 1.0 S S28 1 0.50000000 0.99487300 0.90555900 1.0 S S29 1 0.50000000 0.00512700 0.09444100 1.0 S S30 1 0.00000000 0.70317900 0.47388200 1.0 S S31 1 0.00000000 0.29682100 0.52611800 1.0 S S32 1 0.00000000 0.79682100 0.97388200 1.0 S S33 1 0.00000000 0.20317900 0.02611800 1.0 S S34 1 0.00000000 0.83226100 0.24240500 1.0 S S35 1 0.00000000 0.16773900 0.75759500 1.0 S S36 1 0.00000000 0.66773900 0.74240500 1.0 S S37 1 0.00000000 0.33226100 0.25759500 1.0 S S38 1 0.50000000 0.65660300 0.11469600 1.0 S S39 1 0.50000000 0.34339700 0.88530400 1.0 S S40 1 0.50000000 0.84339700 0.61469600 1.0 S S41 1 0.50000000 0.15660300 0.38530400 1.0 S S42 1 0.00000000 0.00000000 0.50000000 1.0 S S43 1 0.00000000 0.50000000 0.00000000 1.0