# generated using pymatgen data_Tm8S11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73356550 _cell_length_b 6.58726283 _cell_length_c 34.93992449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.46280145 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8S11 _chemical_formula_sum 'Tm16 S22' _cell_volume 824.08330195 _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 Tm Tm0 1 0.01884439 0.03769077 0.63294021 1.0 Tm Tm1 1 0.98115561 0.96230923 0.36705979 1.0 Tm Tm2 1 0.98115561 0.96230923 0.13294021 1.0 Tm Tm3 1 0.01884439 0.03769077 0.86705979 1.0 Tm Tm4 1 0.23955089 0.47910178 0.18278181 1.0 Tm Tm5 1 0.76044911 0.52089822 0.81721819 1.0 Tm Tm6 1 0.76044911 0.52089822 0.68278181 1.0 Tm Tm7 1 0.23955089 0.47910178 0.31721819 1.0 Tm Tm8 1 0.25734178 0.51468455 0.55789894 1.0 Tm Tm9 1 0.74265822 0.48531545 0.44210106 1.0 Tm Tm10 1 0.74265822 0.48531545 0.05789894 1.0 Tm Tm11 1 0.25734178 0.51468455 0.94210106 1.0 Tm Tm12 1 0.48951745 0.97903590 0.25000000 1.0 Tm Tm13 1 0.51048255 0.02096410 0.75000000 1.0 Tm Tm14 1 -0.00000000 -0.00000000 0.50000000 1.0 Tm Tm15 1 -0.00000000 -0.00000000 0.00000000 1.0 S S16 1 0.39693655 0.79387210 0.83719539 1.0 S S17 1 0.60306345 0.20612790 0.16280461 1.0 S S18 1 0.60306345 0.20612790 0.33719539 1.0 S S19 1 0.39693655 0.79387210 0.66280461 1.0 S S20 1 0.33491712 0.66983425 0.11173866 1.0 S S21 1 0.66508288 0.33016575 0.88826134 1.0 S S22 1 0.66508288 0.33016575 0.61173866 1.0 S S23 1 0.33491712 0.66983425 0.38826134 1.0 S S24 1 0.35344259 0.70688418 0.01616680 1.0 S S25 1 0.64655741 0.29311582 0.98383320 1.0 S S26 1 0.64655741 0.29311582 0.51616680 1.0 S S27 1 0.35344259 0.70688418 0.48383320 1.0 S S28 1 0.11488601 0.22977103 0.79670555 1.0 S S29 1 0.88511399 0.77022897 0.20329445 1.0 S S30 1 0.88511399 0.77022897 0.29670555 1.0 S S31 1 0.11488601 0.22977103 0.70329445 1.0 S S32 1 0.85735413 0.71470827 0.75000000 1.0 S S33 1 0.14264587 0.28529173 0.25000000 1.0 S S34 1 0.08981044 0.17962188 0.43157901 1.0 S S35 1 0.91018956 0.82037812 0.56842099 1.0 S S36 1 0.91018956 0.82037812 0.93157901 1.0 S S37 1 0.08981044 0.17962188 0.06842099 1.0