# generated using pymatgen data_Tm5Lu3(Si4Mo3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66842635 _cell_length_b 6.88909023 _cell_length_c 12.79934111 _cell_angle_alpha 89.98445379 _cell_angle_beta 89.99534323 _cell_angle_gamma 89.99145734 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm5Lu3(Si4Mo3)4 _chemical_formula_sum 'Tm5 Lu3 Si16 Mo12' _cell_volume 587.99390361 _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 0.49804940 0.33211236 0.09409304 1.0 Tm Tm1 1 0.99823155 0.16792995 0.40619142 1.0 Tm Tm2 1 0.50178949 0.66782104 0.59384251 1.0 Tm Tm3 1 0.00189584 0.83209231 0.90621160 1.0 Tm Tm4 1 0.50190428 0.66810005 0.90585731 1.0 Lu Lu5 1 0.00223715 0.83169729 0.59413362 1.0 Lu Lu6 1 0.49765787 0.33168262 0.40560716 1.0 Lu Lu7 1 0.99754882 0.16825994 0.09446181 1.0 Si Si8 1 0.66001065 0.03977061 0.54641742 1.0 Si Si9 1 0.15944784 0.45943880 0.95364162 1.0 Si Si10 1 0.33978066 0.96050282 0.04671813 1.0 Si Si11 1 0.83980103 0.53987708 0.45344912 1.0 Si Si12 1 0.34081929 0.96057215 0.45338193 1.0 Si Si13 1 0.84096036 0.53934437 0.04679482 1.0 Si Si14 1 0.65967379 0.04021330 0.95363492 1.0 Si Si15 1 0.15912753 0.46070797 0.54642107 1.0 Si Si16 1 0.53514958 0.36686313 0.75002771 1.0 Si Si17 1 0.03500064 0.13248187 0.74975437 1.0 Si Si18 1 0.46506870 0.63272333 0.25033825 1.0 Si Si19 1 0.96516548 0.86751157 0.24996537 1.0 Si Si20 1 0.80163838 0.62946639 0.74967627 1.0 Si Si21 1 0.30068514 0.87083018 0.74958643 1.0 Si Si22 1 0.19878908 0.37043923 0.25006396 1.0 Si Si23 1 0.69898391 0.12974592 0.25012076 1.0 Mo Mo24 1 0.83039822 0.33144913 0.62389086 1.0 Mo Mo25 1 0.33060662 0.16786660 0.87574990 1.0 Mo Mo26 1 0.16956754 0.66829726 0.12427745 1.0 Mo Mo27 1 0.66955919 0.83192967 0.37590713 1.0 Mo Mo28 1 0.16928294 0.66828084 0.37616117 1.0 Mo Mo29 1 0.66967559 0.83197668 0.12411953 1.0 Mo Mo30 1 0.83111197 0.33164191 0.87592405 1.0 Mo Mo31 1 0.33047424 0.16849715 0.62356896 1.0 Mo Mo32 1 0.66599112 0.99580504 0.74992278 1.0 Mo Mo33 1 0.16575523 0.50387290 0.74993357 1.0 Mo Mo34 1 0.33412073 0.00444429 0.25000578 1.0 Mo Mo35 1 0.83403816 0.49575324 0.25014917 1.0