# generated using pymatgen data_Tm4Ta5TiSi8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97070933 _cell_length_b 6.96569013 _cell_length_c 12.87921279 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.99123491 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Ta5TiSi8 _chemical_formula_sum 'Tm8 Ta10 Ti2 Si16' _cell_volume 625.36048801 _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 0.34109985 0.00123580 0.46764689 1.0 Tm Tm1 1 0.49956737 0.84026436 0.71789388 1.0 Tm Tm2 1 0.50043263 0.15973564 0.21789388 1.0 Tm Tm3 1 0.84032326 0.49951212 0.28230290 1.0 Tm Tm4 1 0.15967674 0.50048788 0.78230290 1.0 Tm Tm5 1 0.65890015 0.99876520 0.96764689 1.0 Tm Tm6 1 0.00134611 0.33929587 0.53194820 1.0 Tm Tm7 1 0.99865489 0.66070413 0.03194820 1.0 Ta Ta8 1 0.32926982 0.32956729 0.99970809 1.0 Ta Ta9 1 0.17183274 0.82750947 0.25017056 1.0 Ta Ta10 1 0.82816726 0.17249053 0.75017056 1.0 Ta Ta11 1 0.67073018 0.67043271 0.49970809 1.0 Ta Ta12 1 0.15266259 0.00851429 0.87349849 1.0 Ta Ta13 1 0.49233043 0.65278178 0.12366210 1.0 Ta Ta14 1 0.50766957 0.34721822 0.62366210 1.0 Ta Ta15 1 0.65183178 0.49215910 0.87651354 1.0 Ta Ta16 1 0.34816822 0.50784090 0.37651354 1.0 Ta Ta17 1 0.84733741 0.99148571 0.37349849 1.0 Ti Ti18 1 0.00764361 0.15339669 0.12664687 1.0 Ti Ti19 1 0.99235639 0.84660331 0.62664687 1.0 Si Si20 1 0.20330126 0.13329755 0.68157647 1.0 Si Si21 1 0.36419481 0.70527355 0.93182359 1.0 Si Si22 1 0.63580519 0.29472645 0.43182359 1.0 Si Si23 1 0.70509104 0.36314990 0.06846834 1.0 Si Si24 1 0.29490896 0.63685010 0.56846834 1.0 Si Si25 1 0.79669874 0.86670245 0.18157647 1.0 Si Si26 1 0.13525084 0.20359624 0.31744606 1.0 Si Si27 1 0.86474916 0.79640376 0.81744606 1.0 Si Si28 1 0.29325334 0.95556371 0.06377798 1.0 Si Si29 1 0.54541018 0.79585246 0.31288876 1.0 Si Si30 1 0.45458982 0.20414754 0.81288876 1.0 Si Si31 1 0.79744271 0.54677269 0.68609821 1.0 Si Si32 1 0.20255729 0.45322731 0.18609821 1.0 Si Si33 1 0.70674666 0.04443629 0.56377798 1.0 Si Si34 1 0.95438280 0.29542431 0.93792907 1.0 Si Si35 1 0.04561720 0.70457569 0.43792907 1.0