# generated using pymatgen data_Tb20Si12S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.75029372 _cell_length_b 6.42663303 _cell_length_c 8.51841608 _cell_angle_alpha 89.99238876 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb20Si12S _chemical_formula_sum 'Tb20 Si12 S1' _cell_volume 807.50090139 _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 Tb Tb0 1 0.66709357 0.50000000 0.50000000 1.0 Tb Tb1 1 0.16738976 0.50000000 0.00000000 1.0 Tb Tb2 1 0.83261024 0.50000000 0.00000000 1.0 Tb Tb3 1 0.33290643 0.50000000 0.50000000 1.0 Tb Tb4 1 0.83106884 0.00000000 0.00000000 1.0 Tb Tb5 1 0.33629555 0.00000000 0.50000000 1.0 Tb Tb6 1 0.66370445 0.00000000 0.50000000 1.0 Tb Tb7 1 0.16893116 0.00000000 0.00000000 1.0 Tb Tb8 1 0.50000000 0.25338248 0.75678150 1.0 Tb Tb9 1 0.00000000 0.24092677 0.25040460 1.0 Tb Tb10 1 0.62082891 0.24849210 0.12165304 1.0 Tb Tb11 1 0.12533743 0.24272047 0.62491427 1.0 Tb Tb12 1 0.87466257 0.24272047 0.62491427 1.0 Tb Tb13 1 0.37917109 0.24849210 0.12165304 1.0 Tb Tb14 1 0.00000000 0.75907323 0.74959540 1.0 Tb Tb15 1 0.50000000 0.74661752 0.24321850 1.0 Tb Tb16 1 0.87466257 0.75727953 0.37508573 1.0 Tb Tb17 1 0.37917109 0.75150790 0.87834696 1.0 Tb Tb18 1 0.62082891 0.75150790 0.87834696 1.0 Tb Tb19 1 0.12533743 0.75727953 0.37508573 1.0 Si Si20 1 0.00000000 0.24476552 0.89399013 1.0 Si Si21 1 0.50000000 0.25337790 0.39305913 1.0 Si Si22 1 0.80157725 0.24447810 0.30261011 1.0 Si Si23 1 0.30474539 0.24956298 0.80395508 1.0 Si Si24 1 0.69525461 0.24956298 0.80395508 1.0 Si Si25 1 0.19842275 0.24447810 0.30261011 1.0 Si Si26 1 0.50000000 0.74662210 0.60694087 1.0 Si Si27 1 0.00000000 0.75523448 0.10600987 1.0 Si Si28 1 0.69525461 0.75043702 0.19604492 1.0 Si Si29 1 0.19842275 0.75552190 0.69738989 1.0 Si Si30 1 0.80157725 0.75552190 0.69738989 1.0 Si Si31 1 0.30474539 0.75043702 0.19604492 1.0 S S32 1 0.00000000 0.50000000 0.50000000 1.0