# generated using pymatgen data_Lu4Mo4O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66874800 _cell_length_b 10.66881850 _cell_length_c 15.86257151 _cell_angle_alpha 90.49133601 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4Mo4O11 _chemical_formula_sum 'Lu16 Mo16 O44' _cell_volume 959.31470637 _cell_formula_units_Z 4 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 0.00000000 0.89901300 0.76875700 1.0 Lu Lu1 1 0.00000000 0.39329700 0.42005300 1.0 Lu Lu2 1 0.00000000 0.40467300 0.73788200 1.0 Lu Lu3 1 0.50000000 0.31807200 0.27654600 1.0 Lu Lu4 1 0.50000000 0.07528400 0.09832000 1.0 Lu Lu5 1 0.50000000 0.92471600 0.90168000 1.0 Lu Lu6 1 0.00000000 0.60670300 0.57994700 1.0 Lu Lu7 1 0.50000000 0.68192800 0.72345400 1.0 Lu Lu8 1 0.50000000 0.57819400 0.40091500 1.0 Lu Lu9 1 0.00000000 0.10098700 0.23124300 1.0 Lu Lu10 1 0.00000000 0.88775500 0.07702400 1.0 Lu Lu11 1 0.50000000 0.18115700 0.77549200 1.0 Lu Lu12 1 0.00000000 0.11224500 0.92297600 1.0 Lu Lu13 1 0.50000000 0.81884300 0.22450800 1.0 Lu Lu14 1 0.50000000 0.42180600 0.59908500 1.0 Lu Lu15 1 0.00000000 0.59532700 0.26211800 1.0 Mo Mo16 1 0.00000000 0.41416700 0.93854200 1.0 Mo Mo17 1 0.50000000 0.40226100 0.92821800 1.0 Mo Mo18 1 0.27444000 0.63637900 0.91440300 1.0 Mo Mo19 1 0.00000000 0.90509800 0.56762700 1.0 Mo Mo20 1 0.22841200 0.85985800 0.41033500 1.0 Mo Mo21 1 0.00000000 0.58583300 0.06145800 1.0 Mo Mo22 1 0.50000000 0.09572900 0.42995500 1.0 Mo Mo23 1 0.50000000 0.90427100 0.57004500 1.0 Mo Mo24 1 0.27444000 0.36362100 0.08559700 1.0 Mo Mo25 1 0.77158800 0.85985800 0.41033500 1.0 Mo Mo26 1 0.50000000 0.59773900 0.07178200 1.0 Mo Mo27 1 0.72556000 0.36362100 0.08559700 1.0 Mo Mo28 1 0.72556000 0.63637900 0.91440300 1.0 Mo Mo29 1 0.77158800 0.14014200 0.58966500 1.0 Mo Mo30 1 0.00000000 0.09490200 0.43237300 1.0 Mo Mo31 1 0.22841200 0.14014200 0.58966500 1.0 O O32 1 0.75131500 0.53710900 0.67281300 1.0 O O33 1 0.24888700 0.03830800 0.82876400 1.0 O O34 1 0.24925300 0.50000000 0.50000000 1.0 O O35 1 0.50000000 0.75084100 0.98652400 1.0 O O36 1 0.26639400 0.22317600 0.17478000 1.0 O O37 1 0.00000000 0.54673300 0.84422200 1.0 O O38 1 0.23762700 0.69312500 0.14101200 1.0 O O39 1 0.73360600 0.22317600 0.17478000 1.0 O O40 1 0.24522500 0.00000000 0.00000000 1.0 O O41 1 0.50000000 0.23864300 0.52553200 1.0 O O42 1 0.76237300 0.69312500 0.14101200 1.0 O O43 1 0.50000000 0.05443000 0.66070300 1.0 O O44 1 0.50000000 0.24915900 0.01347600 1.0 O O45 1 0.50000000 0.94557000 0.33929700 1.0 O O46 1 0.00000000 0.03800800 0.66536200 1.0 O O47 1 0.00000000 0.24766500 0.51736200 1.0 O O48 1 0.75477500 0.00000000 0.00000000 1.0 O O49 1 0.00000000 0.26414300 0.02154200 1.0 O O50 1 0.50000000 0.45967400 0.16785200 1.0 O O51 1 0.24468800 0.19620200 0.35731600 1.0 O O52 1 0.24888700 0.96169200 0.17123600 1.0 O O53 1 0.23762700 0.30687500 0.85898800 1.0 O O54 1 0.73360600 0.77682400 0.82522000 1.0 O O55 1 0.24868500 0.46289100 0.32718700 1.0 O O56 1 0.75111300 0.96169200 0.17123600 1.0 O O57 1 0.50000000 0.54032600 0.83214800 1.0 O O58 1 0.00000000 0.96199200 0.33463800 1.0 O O59 1 0.00000000 0.45326700 0.15577800 1.0 O O60 1 0.75131500 0.46289100 0.32718700 1.0 O O61 1 0.76237300 0.30687500 0.85898800 1.0 O O62 1 0.73896700 0.27964200 0.67882300 1.0 O O63 1 0.75531200 0.19620200 0.35731600 1.0 O O64 1 0.26103400 0.27964200 0.67882300 1.0 O O65 1 0.75074700 0.50000000 0.50000000 1.0 O O66 1 0.24868500 0.53710900 0.67281300 1.0 O O67 1 0.26103400 0.72035800 0.32117700 1.0 O O68 1 0.26639400 0.77682400 0.82522000 1.0 O O69 1 0.00000000 0.73585700 0.97845800 1.0 O O70 1 0.73896700 0.72035800 0.32117700 1.0 O O71 1 0.24468800 0.80379800 0.64268300 1.0 O O72 1 0.75531200 0.80379800 0.64268300 1.0 O O73 1 0.50000000 0.76135700 0.47446800 1.0 O O74 1 0.00000000 0.75233500 0.48263800 1.0 O O75 1 0.75111300 0.03830800 0.82876400 1.0