# generated using pymatgen data_Lu8Ti3Si16Mo9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64861350 _cell_length_b 6.86990599 _cell_length_c 12.91580141 _cell_angle_alpha 90.08513287 _cell_angle_beta 89.97897388 _cell_angle_gamma 90.05052228 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu8Ti3Si16Mo9 _chemical_formula_sum 'Lu8 Ti3 Si16 Mo9' _cell_volume 589.93282620 _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 Lu Lu0 1 0.49977548 0.32781615 0.09510541 1.0 Lu Lu1 1 0.99873622 0.17127046 0.40569444 1.0 Lu Lu2 1 0.49996215 0.67310034 0.59471506 1.0 Lu Lu3 1 0.99940480 0.82707608 0.90470214 1.0 Lu Lu4 1 0.49930420 0.66874183 0.90512678 1.0 Lu Lu5 1 0.00098945 0.82990236 0.59535664 1.0 Lu Lu6 1 0.49986223 0.32938954 0.40585987 1.0 Lu Lu7 1 0.99899037 0.16821673 0.09416663 1.0 Ti Ti8 1 0.83635119 0.32963892 0.62477733 1.0 Ti Ti9 1 0.33673569 0.17221719 0.87426788 1.0 Ti Ti10 1 0.16328480 0.67234572 0.12700867 1.0 Si Si11 1 0.66289347 0.04048618 0.54247699 1.0 Si Si12 1 0.15962787 0.46157747 0.95703106 1.0 Si Si13 1 0.33994047 0.96141881 0.04373221 1.0 Si Si14 1 0.83837606 0.54145815 0.45611900 1.0 Si Si15 1 0.33715136 0.95914225 0.45649570 1.0 Si Si16 1 0.83460820 0.53985874 0.04214054 1.0 Si Si17 1 0.66468081 0.04034683 0.95828664 1.0 Si Si18 1 0.16539041 0.45860870 0.54258341 1.0 Si Si19 1 0.53575578 0.37409053 0.74738133 1.0 Si Si20 1 0.03692155 0.12627523 0.75118088 1.0 Si Si21 1 0.46589783 0.62804458 0.24953756 1.0 Si Si22 1 0.96282836 0.87335513 0.25210816 1.0 Si Si23 1 0.79825320 0.62889095 0.74923906 1.0 Si Si24 1 0.29920544 0.87133746 0.75105049 1.0 Si Si25 1 0.20126067 0.37054172 0.24973878 1.0 Si Si26 1 0.69891198 0.12951901 0.24983309 1.0 Mo Mo27 1 0.66428407 0.83148155 0.37395885 1.0 Mo Mo28 1 0.16792265 0.66811357 0.37711839 1.0 Mo Mo29 1 0.67213298 0.83098648 0.12419464 1.0 Mo Mo30 1 0.82878416 0.32991147 0.87618426 1.0 Mo Mo31 1 0.33182818 0.16652120 0.62233086 1.0 Mo Mo32 1 0.66392206 0.00535613 0.74991553 1.0 Mo Mo33 1 0.16357637 0.49402970 0.75029053 1.0 Mo Mo34 1 0.33434092 0.99559809 0.25038741 1.0 Mo Mo35 1 0.83810759 0.50333372 0.24990280 1.0