# generated using pymatgen data_LuHf15(Si4Mo)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93139291 _cell_length_b 6.93165869 _cell_length_c 12.65739965 _cell_angle_alpha 89.98243571 _cell_angle_beta 90.03389535 _cell_angle_gamma 89.98218100 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuHf15(Si4Mo)4 _chemical_formula_sum 'Lu1 Hf15 Si16 Mo4' _cell_volume 608.13789083 _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 0.49564868 0.15714635 0.53084923 1.0 Hf Hf1 1 0.50416301 0.84438174 0.03020152 1.0 Hf Hf2 1 0.65679866 0.00368233 0.28005709 1.0 Hf Hf3 1 0.34391813 0.99623946 0.78139767 1.0 Hf Hf4 1 0.84357977 0.50385713 0.96954912 1.0 Hf Hf5 1 0.15420604 0.49785106 0.46912478 1.0 Hf Hf6 1 0.00301193 0.65630003 0.72066836 1.0 Hf Hf7 1 0.99622646 0.34433249 0.21860106 1.0 Hf Hf8 1 0.49698128 0.35659153 0.12514348 1.0 Hf Hf9 1 0.50351332 0.64355904 0.62656417 1.0 Hf Hf10 1 0.85618574 0.00302996 0.87664603 1.0 Hf Hf11 1 0.14404519 0.99548393 0.37470239 1.0 Hf Hf12 1 0.64557754 0.50283717 0.37282141 1.0 Hf Hf13 1 0.35611058 0.49781078 0.87492838 1.0 Hf Hf14 1 0.00263978 0.85635513 0.12391651 1.0 Hf Hf15 1 0.99740676 0.14291066 0.62480763 1.0 Si Si16 1 0.79510326 0.14603393 0.07219126 1.0 Si Si17 1 0.20245680 0.85170299 0.57137205 1.0 Si Si18 1 0.64614981 0.70453964 0.82258135 1.0 Si Si19 1 0.35255014 0.29747330 0.32009275 1.0 Si Si20 1 0.85746386 0.20522923 0.42711744 1.0 Si Si21 1 0.14586912 0.79560146 0.92805976 1.0 Si Si22 1 0.70423715 0.64648345 0.17771704 1.0 Si Si23 1 0.29232149 0.35630222 0.68034816 1.0 Si Si24 1 0.54772104 0.19781963 0.93368819 1.0 Si Si25 1 0.45178788 0.79901692 0.43272531 1.0 Si Si26 1 0.69873612 0.95059957 0.68489462 1.0 Si Si27 1 0.30280195 0.04761337 0.18327610 1.0 Si Si28 1 0.80334889 0.45288302 0.56646212 1.0 Si Si29 1 0.19713960 0.54811123 0.06624967 1.0 Si Si30 1 0.95234565 0.69751863 0.31567733 1.0 Si Si31 1 0.04709483 0.30287043 0.81706307 1.0 Mo Mo32 1 0.67555833 0.32617875 0.75146442 1.0 Mo Mo33 1 0.32509813 0.67413431 0.24883587 1.0 Mo Mo34 1 0.82711434 0.82264875 0.50009478 1.0 Mo Mo35 1 0.17508874 0.17486938 0.00011185 1.0