# generated using pymatgen data_Mn8Cu7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03022370 _cell_length_b 5.81790595 _cell_length_c 30.14786567 _cell_angle_alpha 60.00648634 _cell_angle_beta 57.77509889 _cell_angle_gamma 59.80104703 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn8Cu7O20 _chemical_formula_sum 'Mn16 Cu14 O40' _cell_volume 733.47829094 _cell_formula_units_Z 2 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 Mn Mn0 1 0.00097600 0.99005800 0.00399200 1.0 Mn Mn1 1 0.01520700 0.97810400 0.20412000 1.0 Mn Mn2 1 0.12786200 0.62723200 0.12462300 1.0 Mn Mn3 1 0.61153900 0.63333600 0.02580700 1.0 Mn Mn4 1 0.02427000 0.97298300 0.40285800 1.0 Mn Mn5 1 0.13580300 0.61812800 0.32477100 1.0 Mn Mn6 1 0.62329900 0.62229900 0.22659300 1.0 Mn Mn7 1 0.12940100 0.61641400 0.52642000 1.0 Mn Mn8 1 0.62276100 0.12058300 0.52685900 1.0 Mn Mn9 1 0.63332800 0.61258900 0.42689700 1.0 Mn Mn10 1 0.12537800 0.62549700 0.72469900 1.0 Mn Mn11 1 0.62553300 0.62279600 0.62540100 1.0 Mn Mn12 1 0.62541200 0.12553600 0.72466600 1.0 Mn Mn13 1 0.12529600 0.63176200 0.92318400 1.0 Mn Mn14 1 0.62552400 0.13420900 0.92284800 1.0 Mn Mn15 1 0.62540000 0.62915500 0.82385100 1.0 Cu Cu16 1 0.22839400 0.27864800 0.04661500 1.0 Cu Cu17 1 0.62562700 0.12879900 0.12507000 1.0 Cu Cu18 1 0.23649800 0.26982000 0.24672600 1.0 Cu Cu19 1 0.62297300 0.62729700 0.12547400 1.0 Cu Cu20 1 0.62811000 0.11811800 0.32614700 1.0 Cu Cu21 1 0.00937300 0.98583700 0.60202400 1.0 Cu Cu22 1 0.24889600 0.25393000 0.44755800 1.0 Cu Cu23 1 0.63035200 0.61696500 0.32577300 1.0 Cu Cu24 1 0.23966400 0.25948000 0.64944600 1.0 Cu Cu25 1 0.00961000 0.99047900 0.80080100 1.0 Cu Cu26 1 0.62687300 0.61761500 0.52653800 1.0 Cu Cu27 1 0.24161900 0.26598900 0.84703500 1.0 Cu Cu28 1 0.62547600 0.62552900 0.72471100 1.0 Cu Cu29 1 0.62562700 0.63078000 0.92379700 1.0 O O30 1 0.36533300 0.42313900 0.07114200 1.0 O O31 1 0.35565300 0.86482000 0.07188400 1.0 O O32 1 0.36781200 0.40943600 0.16365300 1.0 O O33 1 0.81752400 0.42411800 0.07064000 1.0 O O34 1 0.36871900 0.40960200 0.27363700 1.0 O O35 1 0.41566600 0.85130700 0.17691700 1.0 O O36 1 0.37095100 0.39962600 0.36563700 1.0 O O37 1 0.36222700 0.85420200 0.27366900 1.0 O O38 1 0.88756700 0.38981900 0.17706100 1.0 O O39 1 0.87396900 0.85367800 0.08430700 1.0 O O40 1 0.82412500 0.40364000 0.27335700 1.0 O O41 1 0.88167400 0.84296700 0.17702400 1.0 O O42 1 0.42541300 0.83072100 0.37923700 1.0 O O43 1 0.39345200 0.36456800 0.48053600 1.0 O O44 1 0.89179100 0.38253800 0.37790700 1.0 O O45 1 0.37239100 0.38768200 0.56704200 1.0 O O46 1 0.37115100 0.83765700 0.47453400 1.0 O O47 1 0.88101900 0.84568700 0.28478700 1.0 O O48 1 0.83079300 0.37761100 0.47741700 1.0 O O49 1 0.88302900 0.83007600 0.37905000 1.0 O O50 1 0.39221100 0.37562500 0.67827200 1.0 O O51 1 0.42327400 0.85359500 0.57597700 1.0 O O52 1 0.37378000 0.39445800 0.76487900 1.0 O O53 1 0.36629900 0.84597100 0.67328100 1.0 O O54 1 0.88485000 0.40023900 0.57702700 1.0 O O55 1 0.88039300 0.85272100 0.48461100 1.0 O O56 1 0.82745700 0.39158000 0.67470600 1.0 O O57 1 0.85886400 0.86871300 0.57251700 1.0 O O58 1 0.42300600 0.85966400 0.77468300 1.0 O O59 1 0.39145700 0.38275300 0.87649800 1.0 O O60 1 0.88444600 0.40483500 0.77622600 1.0 O O61 1 0.36434900 0.85165900 0.87227400 1.0 O O62 1 0.37132000 0.39972900 0.96348500 1.0 O O63 1 0.87728700 0.85677300 0.68440600 1.0 O O64 1 0.85840200 0.87553700 0.77119100 1.0 O O65 1 0.82716700 0.39886300 0.87342100 1.0 O O66 1 0.41412600 0.87341400 0.97253400 1.0 O O67 1 0.88092600 0.40469300 0.97594500 1.0 O O68 1 0.87662200 0.86244300 0.88339600 1.0 O O69 1 0.85742600 0.88387300 0.96992400 1.0