# generated using pymatgen
data_Sc13Cu13O33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96404422
_cell_length_b   5.96404422
_cell_length_c   36.25867887
_cell_angle_alpha   87.86782069
_cell_angle_beta   87.86782069
_cell_angle_gamma   33.36506050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc13Cu13O33
_chemical_formula_sum   'Sc13 Cu13 O33'
_cell_volume   708.77123195
_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
  Sc  Sc0  1  0.72333700  0.72333700  0.96086800  1.0
  Sc  Sc1  1  0.18831000  0.18831000  0.88491300  1.0
  Sc  Sc2  1  0.67215900  0.67215900  0.80720400  1.0
  Sc  Sc3  1  0.10542300  0.10542300  0.73168000  1.0
  Sc  Sc4  1  0.59450400  0.59450400  0.65350800  1.0
  Sc  Sc5  1  0.02849200  0.02849200  0.57754900  1.0
  Sc  Sc6  1  0.51818600  0.51818600  0.49935700  1.0
  Sc  Sc7  1  0.95370600  0.95370600  0.42319700  1.0
  Sc  Sc8  1  0.41847900  0.41847900  0.34760700  1.0
  Sc  Sc9  1  0.90126900  0.90126900  0.27009000  1.0
  Sc  Sc10  1  0.35126700  0.35126700  0.19277600  1.0
  Sc  Sc11  1  0.81473600  0.81473600  0.11493300  1.0
  Sc  Sc12  1  0.28034500  0.28034500  0.03686000  1.0
  Cu  Cu13  1  0.99656000  0.99656000  0.00397200  1.0
  Cu  Cu14  1  0.45574200  0.45574200  0.92082700  1.0
  Cu  Cu15  1  0.92682900  0.92682900  0.84574300  1.0
  Cu  Cu16  1  0.38111000  0.38111000  0.77329000  1.0
  Cu  Cu17  1  0.84716700  0.84716700  0.69056200  1.0
  Cu  Cu18  1  0.77046200  0.77046200  0.53649800  1.0
  Cu  Cu19  1  0.30349000  0.30349000  0.61880600  1.0
  Cu  Cu20  1  0.22833200  0.22833200  0.46481200  1.0
  Cu  Cu21  1  0.68609400  0.68609400  0.38289800  1.0
  Cu  Cu22  1  0.15549600  0.15549600  0.30773700  1.0
  Cu  Cu23  1  0.61304200  0.61304200  0.23278100  1.0
  Cu  Cu24  1  0.53756700  0.53756700  0.07936400  1.0
  Cu  Cu25  1  0.07369600  0.07369600  0.15609100  1.0
  O  O26  1  0.15687300  0.15687300  0.99164000  1.0
  O  O27  1  0.61463600  0.61463600  0.91536700  1.0
  O  O28  1  0.08905900  0.08905900  0.83809400  1.0
  O  O29  1  0.29842300  0.29842300  0.93128400  1.0
  O  O30  1  0.54145600  0.54145600  0.76244900  1.0
  O  O31  1  0.76637200  0.76637200  0.85819900  1.0
  O  O32  1  0.87343800  0.87343800  0.79265100  1.0
  O  O33  1  0.00928800  0.00928800  0.68420500  1.0
  O  O34  1  0.21913000  0.21913000  0.77527800  1.0
  O  O35  1  0.46408100  0.46408100  0.60824400  1.0
  O  O36  1  0.68771400  0.68771400  0.70409000  1.0
  O  O37  1  0.79541500  0.79541500  0.63789200  1.0
  O  O38  1  0.93265900  0.93265900  0.52993500  1.0
  O  O39  1  0.14138100  0.14138100  0.62136300  1.0
  O  O40  1  0.38920300  0.38920300  0.45400100  1.0
  O  O41  1  0.61094600  0.61094600  0.54995700  1.0
  O  O42  1  0.71994400  0.71994400  0.48365800  1.0
  O  O43  1  0.84475000  0.84475000  0.37795100  1.0
  O  O44  1  0.06601100  0.06601100  0.46701300  1.0
  O  O45  1  0.31728300  0.31728300  0.30134100  1.0
  O  O46  1  0.52927700  0.52927700  0.39350300  1.0
  O  O47  1  0.77705800  0.77705800  0.22439500  1.0
  O  O48  1  0.99643900  0.99643900  0.32118300  1.0
  O  O49  1  0.10450000  0.10450000  0.25608200  1.0
  O  O50  1  0.23634700  0.23634700  0.14617100  1.0
  O  O51  1  0.44988500  0.44988500  0.24021800  1.0
  O  O52  1  0.56965300  0.56965300  0.17693200  1.0
  O  O53  1  0.70072700  0.70072700  0.06800900  1.0
  O  O54  1  0.91079900  0.91079900  0.16306100  1.0
  O  O55  1  0.03149300  0.03149300  0.09859800  1.0
  O  O56  1  0.37362600  0.37362600  0.08538000  1.0
  O  O57  1  0.48810300  0.48810300  0.01949000  1.0
  O  O58  1  0.83380700  0.83380700  0.00499500  1.0