# generated using pymatgen data_Tm4Ta3Ti3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97511460 _cell_length_b 6.97618050 _cell_length_c 12.85634000 _cell_angle_alpha 90.07169456 _cell_angle_beta 90.02938433 _cell_angle_gamma 90.00205496 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Ta3Ti3Si8 _chemical_formula_sum 'Tm8 Ta6 Ti6 Si16' _cell_volume 625.58454154 _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 0.34090461 0.99951699 0.46669879 1.0 Tm Tm1 1 0.49973639 0.84070656 0.71693603 1.0 Tm Tm2 1 0.49989941 0.15834947 0.21703680 1.0 Tm Tm3 1 0.83952916 0.50034484 0.28311592 1.0 Tm Tm4 1 0.15997517 0.50053327 0.78276509 1.0 Tm Tm5 1 0.65867993 0.99957100 0.96707699 1.0 Tm Tm6 1 0.00004726 0.34067047 0.53300695 1.0 Tm Tm7 1 0.99962122 0.66121269 0.03293375 1.0 Ta Ta8 1 0.32733837 0.32769804 0.99995401 1.0 Ta Ta9 1 0.17309407 0.82659191 0.24979965 1.0 Ta Ta10 1 0.82876815 0.17197198 0.75012141 1.0 Ta Ta11 1 0.67254798 0.67168774 0.49989849 1.0 Ta Ta12 1 0.15287539 0.00935756 0.87531338 1.0 Ta Ta13 1 0.49006217 0.65325694 0.12498410 1.0 Ti Ti14 1 0.50926138 0.34684285 0.62549540 1.0 Ti Ti15 1 0.65348215 0.49138291 0.87504173 1.0 Ti Ti16 1 0.34783330 0.50843825 0.37451785 1.0 Ti Ti17 1 0.84701880 0.99031944 0.37519435 1.0 Ti Ti18 1 0.00872699 0.15238328 0.12416949 1.0 Ti Ti19 1 0.99204524 0.84643987 0.62557655 1.0 Si Si20 1 0.20428797 0.13310811 0.68219017 1.0 Si Si21 1 0.36774981 0.70368745 0.93210621 1.0 Si Si22 1 0.63192502 0.29690223 0.43338035 1.0 Si Si23 1 0.70328376 0.36552495 0.06753273 1.0 Si Si24 1 0.29770696 0.63176729 0.56624300 1.0 Si Si25 1 0.79736457 0.86870705 0.18342027 1.0 Si Si26 1 0.13178750 0.20223006 0.31702030 1.0 Si Si27 1 0.86545928 0.79643263 0.81688084 1.0 Si Si28 1 0.29344304 0.95513099 0.06385168 1.0 Si Si29 1 0.54622825 0.79425288 0.31435053 1.0 Si Si30 1 0.45529055 0.20812132 0.81260601 1.0 Si Si31 1 0.79390777 0.54570960 0.68651395 1.0 Si Si32 1 0.20352917 0.45218446 0.18717397 1.0 Si Si33 1 0.70755115 0.04536316 0.56329774 1.0 Si Si34 1 0.95275592 0.29706148 0.93681019 1.0 Si Si35 1 0.04628213 0.70654228 0.43698633 1.0