# generated using pymatgen data_Tb2Ti3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06368034 _cell_length_b 7.06367948 _cell_length_c 12.96590816 _cell_angle_alpha 89.99986342 _cell_angle_beta 89.99999871 _cell_angle_gamma 89.99994095 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Ti3Si4 _chemical_formula_sum 'Tb8 Ti12 Si16' _cell_volume 646.94142840 _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 0.34038575 0.00078629 0.46598238 1.0 Tb Tb1 1 0.49917819 0.84042578 0.71602077 1.0 Tb Tb2 1 0.50079828 0.15960120 0.21602325 1.0 Tb Tb3 1 0.84040284 0.49918983 0.28395224 1.0 Tb Tb4 1 0.15957805 0.50081145 0.78400291 1.0 Tb Tb5 1 0.65962686 0.99919627 0.96606365 1.0 Tb Tb6 1 0.00081158 0.34038248 0.53394823 1.0 Tb Tb7 1 0.99921958 0.65962306 0.03400710 1.0 Ti Ti8 1 0.32799146 0.32798477 0.00001862 1.0 Ti Ti9 1 0.17193707 0.82805827 0.24999491 1.0 Ti Ti10 1 0.82809682 0.17189735 0.75000424 1.0 Ti Ti11 1 0.67199687 0.67198819 0.49998266 1.0 Ti Ti12 1 0.15333002 0.00840456 0.87638403 1.0 Ti Ti13 1 0.49157856 0.65334625 0.12637849 1.0 Ti Ti14 1 0.50838567 0.34663454 0.62634595 1.0 Ti Ti15 1 0.65335906 0.49161179 0.87366385 1.0 Ti Ti16 1 0.34664573 0.50842297 0.37361307 1.0 Ti Ti17 1 0.84667603 0.99160799 0.37634056 1.0 Ti Ti18 1 0.00840716 0.15331988 0.12364485 1.0 Ti Ti19 1 0.99161039 0.84666427 0.62363010 1.0 Si Si20 1 0.20362429 0.12923587 0.68433778 1.0 Si Si21 1 0.37073496 0.70366608 0.93436294 1.0 Si Si22 1 0.62924047 0.29635275 0.43428584 1.0 Si Si23 1 0.70365992 0.37075949 0.06571195 1.0 Si Si24 1 0.29634658 0.62926472 0.56563940 1.0 Si Si25 1 0.79635591 0.87077235 0.18432471 1.0 Si Si26 1 0.12923558 0.20364886 0.31565063 1.0 Si Si27 1 0.87077479 0.79638011 0.81568823 1.0 Si Si28 1 0.29009168 0.95194510 0.06435031 1.0 Si Si29 1 0.54806579 0.79011118 0.31429163 1.0 Si Si30 1 0.45192624 0.20986942 0.81435472 1.0 Si Si31 1 0.79012735 0.54807153 0.68566873 1.0 Si Si32 1 0.20988833 0.45193082 0.18568082 1.0 Si Si33 1 0.70990181 0.04804463 0.56428824 1.0 Si Si34 1 0.95195675 0.29009118 0.93572356 1.0 Si Si35 1 0.04805360 0.70989872 0.43563866 1.0