# generated using pymatgen data_Cu3Mo2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89095100 _cell_length_b 7.76066500 _cell_length_c 14.88120600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3Mo2O9 _chemical_formula_sum 'Cu12 Mo8 O36' _cell_volume 795.82252507 _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 Cu Cu0 1 0.00202200 0.16288100 0.14148900 1.0 Cu Cu1 1 0.99680600 0.29696000 0.93494800 1.0 Cu Cu2 1 0.74409700 0.50331000 0.49801400 1.0 Cu Cu3 1 0.74409700 0.00331000 0.00198600 1.0 Cu Cu4 1 0.99680600 0.79696000 0.56505200 1.0 Cu Cu5 1 0.50202300 0.83711900 0.85851100 1.0 Cu Cu6 1 0.24409700 0.99669000 0.99801400 1.0 Cu Cu7 1 0.49680600 0.20304000 0.43494800 1.0 Cu Cu8 1 0.00202200 0.66288100 0.35851100 1.0 Cu Cu9 1 0.50202300 0.33711900 0.64148900 1.0 Cu Cu10 1 0.24409700 0.49669000 0.50198600 1.0 Cu Cu11 1 0.49680600 0.70304000 0.06505200 1.0 Mo Mo12 1 0.49583500 0.26197400 0.16585900 1.0 Mo Mo13 1 0.99583500 0.23802600 0.66585900 1.0 Mo Mo14 1 0.49573400 0.84615600 0.61408100 1.0 Mo Mo15 1 0.49583500 0.76197400 0.33414100 1.0 Mo Mo16 1 0.49573400 0.34615600 0.88591900 1.0 Mo Mo17 1 0.99583500 0.73802600 0.83414100 1.0 Mo Mo18 1 0.99573400 0.65384400 0.11408100 1.0 Mo Mo19 1 0.99573400 0.15384400 0.38591900 1.0 O O20 1 0.99202800 0.03272800 0.60963800 1.0 O O21 1 0.48895700 0.06936100 0.59451700 1.0 O O22 1 0.78499000 0.36754000 0.63083200 1.0 O O23 1 0.49596100 0.41114200 0.51455900 1.0 O O24 1 0.48919600 0.29789700 0.28143900 1.0 O O25 1 0.98919600 0.20210300 0.78143900 1.0 O O26 1 0.98895700 0.93063900 0.40548300 1.0 O O27 1 0.98895700 0.43063900 0.09451700 1.0 O O28 1 0.99596100 0.58885800 0.48544100 1.0 O O29 1 0.71559200 0.14230200 0.13401600 1.0 O O30 1 0.78067600 0.25478000 0.43617900 1.0 O O31 1 0.00229700 0.19524900 0.26820500 1.0 O O32 1 0.78499000 0.86754000 0.86916800 1.0 O O33 1 0.21180800 0.74841100 0.06206800 1.0 O O34 1 0.28499000 0.13246000 0.13083200 1.0 O O35 1 0.98919600 0.70210300 0.71856100 1.0 O O36 1 0.21559200 0.85769800 0.86598400 1.0 O O37 1 0.49596100 0.91114200 0.98544100 1.0 O O38 1 0.71180800 0.25158900 0.93793200 1.0 O O39 1 0.50229700 0.30475100 0.76820500 1.0 O O40 1 0.49202800 0.96727200 0.39036200 1.0 O O41 1 0.99202800 0.53272800 0.89036200 1.0 O O42 1 0.99596100 0.08885800 0.01455900 1.0 O O43 1 0.49202800 0.46727200 0.10963800 1.0 O O44 1 0.50229700 0.80475100 0.73179500 1.0 O O45 1 0.78067600 0.75478000 0.06382100 1.0 O O46 1 0.48895700 0.56936100 0.90548300 1.0 O O47 1 0.28067600 0.74522000 0.56382100 1.0 O O48 1 0.71180800 0.75158900 0.56206800 1.0 O O49 1 0.28499000 0.63246000 0.36916800 1.0 O O50 1 0.21559200 0.35769800 0.63401600 1.0 O O51 1 0.21180800 0.24841100 0.43793200 1.0 O O52 1 0.28067600 0.24522000 0.93617900 1.0 O O53 1 0.71559200 0.64230200 0.36598400 1.0 O O54 1 0.00229700 0.69524900 0.23179500 1.0 O O55 1 0.48919600 0.79789700 0.21856100 1.0