# generated using pymatgen data_Tm8Ti3Si16Mo9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85200109 _cell_length_b 6.85200109 _cell_length_c 12.66348419 _cell_angle_alpha 90.03542382 _cell_angle_beta 89.96457618 _cell_angle_gamma 89.67955642 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Ti3Si16Mo9 _chemical_formula_sum 'Tm8 Ti3 Si16 Mo9' _cell_volume 594.54002868 _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 Tm Tm0 1 0.33962850 0.00116030 0.46881774 1.0 Tm Tm1 1 0.49835420 0.83963455 0.71922449 1.0 Tm Tm2 1 0.49866362 0.16156292 0.21727226 1.0 Tm Tm3 1 0.83963455 0.49835420 0.28077551 1.0 Tm Tm4 1 0.16156292 0.49866362 0.78272774 1.0 Tm Tm5 1 0.65888788 0.00122634 0.96891821 1.0 Tm Tm6 1 0.00116030 0.33962850 0.53118226 1.0 Tm Tm7 1 0.00122634 0.65888788 0.03108179 1.0 Ti Ti8 1 0.16927534 0.83220013 0.24863295 1.0 Ti Ti9 1 0.83220013 0.16927534 0.75136705 1.0 Ti Ti10 1 0.66764504 0.66764504 0.50000000 1.0 Si Si11 1 0.20246151 0.13001470 0.68305560 1.0 Si Si12 1 0.37291232 0.69849536 0.93343225 1.0 Si Si13 1 0.62976492 0.29738889 0.43293006 1.0 Si Si14 1 0.69849536 0.37291232 0.06656775 1.0 Si Si15 1 0.29738889 0.62976492 0.56706994 1.0 Si Si16 1 0.79595832 0.87068881 0.18354358 1.0 Si Si17 1 0.13001470 0.20246151 0.31694440 1.0 Si Si18 1 0.87068881 0.79595832 0.81645642 1.0 Si Si19 1 0.28858010 0.96426554 0.06119108 1.0 Si Si20 1 0.53890938 0.79245304 0.31301261 1.0 Si Si21 1 0.45890705 0.20990720 0.81496322 1.0 Si Si22 1 0.79245304 0.53890938 0.68698739 1.0 Si Si23 1 0.20990720 0.45890705 0.18503678 1.0 Si Si24 1 0.70861348 0.03966823 0.56301536 1.0 Si Si25 1 0.96426554 0.28858010 0.93880892 1.0 Si Si26 1 0.03966823 0.70861348 0.43698464 1.0 Mo Mo27 1 0.33147398 0.33147398 0.00000000 1.0 Mo Mo28 1 0.15496239 0.00072880 0.87248812 1.0 Mo Mo29 1 0.49653495 0.66631903 0.12460352 1.0 Mo Mo30 1 0.50537195 0.34180886 0.62408355 1.0 Mo Mo31 1 0.66631903 0.49653495 0.87539648 1.0 Mo Mo32 1 0.34180886 0.50537195 0.37591645 1.0 Mo Mo33 1 0.84178266 0.99379171 0.37363020 1.0 Mo Mo34 1 0.00072880 0.15496239 0.12751188 1.0 Mo Mo35 1 0.99379171 0.84178266 0.62636980 1.0