# generated using pymatgen data_Ta24Cu13O72 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59553700 _cell_length_b 10.75290300 _cell_length_c 16.96898890 _cell_angle_alpha 71.84521840 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta24Cu13O72 _chemical_formula_sum 'Ta24 Cu13 O72' _cell_volume 1316.93259330 _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 Ta Ta0 1 0.25149400 0.08381800 0.33088500 1.0 Ta Ta1 1 0.25401800 0.41595100 0.66707800 1.0 Ta Ta2 1 0.25521000 0.74969300 0.99946200 1.0 Ta Ta3 1 0.25494500 0.41603200 0.16561000 1.0 Ta Ta4 1 0.25436600 0.91652600 0.16645700 1.0 Ta Ta5 1 0.25144200 0.74703000 0.49941700 1.0 Ta Ta6 1 0.25144200 0.25297000 0.50058300 1.0 Ta Ta7 1 0.25436600 0.08347400 0.83354300 1.0 Ta Ta8 1 0.25494500 0.58396800 0.83439000 1.0 Ta Ta9 1 0.25521000 0.25030700 0.00053800 1.0 Ta Ta10 1 0.25401800 0.58404900 0.33292200 1.0 Ta Ta11 1 0.25149400 0.91618200 0.66911500 1.0 Ta Ta12 1 0.74850600 0.08381800 0.33088500 1.0 Ta Ta13 1 0.74598200 0.41595100 0.66707800 1.0 Ta Ta14 1 0.74479000 0.74969300 0.99946200 1.0 Ta Ta15 1 0.74505500 0.41603200 0.16561000 1.0 Ta Ta16 1 0.74563400 0.91652600 0.16645700 1.0 Ta Ta17 1 0.74855800 0.74703000 0.49941700 1.0 Ta Ta18 1 0.74563400 0.08347400 0.83354300 1.0 Ta Ta19 1 0.74855800 0.25297000 0.50058300 1.0 Ta Ta20 1 0.74505500 0.58396800 0.83439000 1.0 Ta Ta21 1 0.74479000 0.25030700 0.00053800 1.0 Ta Ta22 1 0.74598200 0.58404900 0.33292200 1.0 Ta Ta23 1 0.74850600 0.91618200 0.66911500 1.0 Cu Cu24 1 0.00000000 0.16759500 0.16543100 1.0 Cu Cu25 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu26 1 0.00000000 0.66592500 0.16674200 1.0 Cu Cu27 1 0.00000000 0.83240500 0.83456900 1.0 Cu Cu28 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu29 1 0.00000000 0.33407500 0.83325800 1.0 Cu Cu30 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu31 1 0.50000000 0.33410300 0.33310800 1.0 Cu Cu32 1 0.50000000 0.66589700 0.66689200 1.0 Cu Cu33 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu34 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu35 1 0.00000000 0.83341900 0.33308500 1.0 Cu Cu36 1 0.00000000 0.16658100 0.66691500 1.0 O O37 1 0.00000000 0.22212400 0.04170700 1.0 O O38 1 0.00000000 0.35012500 0.17183000 1.0 O O39 1 0.00000000 0.68598900 0.50546600 1.0 O O40 1 0.00000000 0.88797400 0.70849100 1.0 O O41 1 0.00000000 0.01652600 0.83688300 1.0 O O42 1 0.00000000 0.77787600 0.95829300 1.0 O O43 1 0.18222700 0.54011100 0.23022600 1.0 O O44 1 0.18197900 0.79248400 0.10422200 1.0 O O45 1 0.18249300 0.87489900 0.56266500 1.0 O O46 1 0.18249300 0.12510100 0.43733500 1.0 O O47 1 0.18197900 0.20751600 0.89577800 1.0 O O48 1 0.18222700 0.45988900 0.76977400 1.0 O O49 1 0.18685700 0.56244300 0.06288300 1.0 O O50 1 0.18701000 0.77048200 0.27093300 1.0 O O51 1 0.18634600 0.89615100 0.39615100 1.0 O O52 1 0.18634600 0.10384900 0.60384900 1.0 O O53 1 0.18701000 0.22951800 0.72906700 1.0 O O54 1 0.18685700 0.43755700 0.93711700 1.0 O O55 1 0.29940600 0.30439700 0.09764400 1.0 O O56 1 0.30139100 0.63913000 0.43130700 1.0 O O57 1 0.30181100 0.97169000 0.76341300 1.0 O O58 1 0.30181100 0.02831000 0.23658700 1.0 O O59 1 0.30139100 0.36087000 0.56869300 1.0 O O60 1 0.29940600 0.69560300 0.90235600 1.0 O O61 1 0.30576200 0.06038700 0.06064500 1.0 O O62 1 0.30782000 0.27123800 0.27299400 1.0 O O63 1 0.30751800 0.39358000 0.39485900 1.0 O O64 1 0.30751800 0.60642000 0.60514100 1.0 O O65 1 0.30782000 0.72876200 0.72700600 1.0 O O66 1 0.30576200 0.93961300 0.93935500 1.0 O O67 1 0.50000000 0.72891300 0.03353200 1.0 O O68 1 0.50000000 0.60436800 0.30123400 1.0 O O69 1 0.50000000 0.05810500 0.37561000 1.0 O O70 1 0.50000000 0.46733400 0.16420800 1.0 O O71 1 0.50000000 0.86623700 0.17044700 1.0 O O72 1 0.50000000 0.81478400 0.49745500 1.0 O O73 1 0.50000000 0.18521600 0.50254500 1.0 O O74 1 0.50000000 0.94189500 0.62439000 1.0 O O75 1 0.50000000 0.39563200 0.69876600 1.0 O O76 1 0.50000000 0.13376300 0.82955300 1.0 O O77 1 0.50000000 0.27108700 0.96646800 1.0 O O78 1 0.50000000 0.53266600 0.83579200 1.0 O O79 1 0.69423800 0.06038700 0.06064500 1.0 O O80 1 0.69218000 0.27123800 0.27299400 1.0 O O81 1 0.69248200 0.39358000 0.39485900 1.0 O O82 1 0.69248200 0.60642000 0.60514100 1.0 O O83 1 0.69218000 0.72876200 0.72700600 1.0 O O84 1 0.69423800 0.93961300 0.93935500 1.0 O O85 1 0.70059400 0.30439700 0.09764400 1.0 O O86 1 0.69860900 0.63913000 0.43130700 1.0 O O87 1 0.69818900 0.02831000 0.23658700 1.0 O O88 1 0.69818900 0.97169000 0.76341300 1.0 O O89 1 0.69860900 0.36087000 0.56869300 1.0 O O90 1 0.70059400 0.69560300 0.90235600 1.0 O O91 1 0.81314300 0.56244300 0.06288300 1.0 O O92 1 0.81299000 0.77048200 0.27093300 1.0 O O93 1 0.81365400 0.89615100 0.39615100 1.0 O O94 1 0.81365400 0.10384900 0.60384900 1.0 O O95 1 0.81299000 0.22951800 0.72906700 1.0 O O96 1 0.81314300 0.43755700 0.93711700 1.0 O O97 1 0.81777300 0.54011100 0.23022600 1.0 O O98 1 0.81802100 0.79248400 0.10422200 1.0 O O99 1 0.81750700 0.87489900 0.56266500 1.0 O O100 1 0.81802100 0.20751600 0.89577800 1.0 O O101 1 0.81750700 0.12510100 0.43733500 1.0 O O102 1 0.81777300 0.45988900 0.76977400 1.0 O O103 1 0.00000000 0.55550900 0.37657900 1.0 O O104 1 0.00000000 0.98347400 0.16311700 1.0 O O105 1 0.00000000 0.11202600 0.29150900 1.0 O O106 1 0.00000000 0.31401100 0.49453400 1.0 O O107 1 0.00000000 0.44449100 0.62342100 1.0 O O108 1 0.00000000 0.64987500 0.82817000 1.0