# generated using pymatgen
data_Al2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74962485
_cell_length_b   5.74962485
_cell_length_c   19.24040982
_cell_angle_alpha   80.98534829
_cell_angle_beta   80.98534829
_cell_angle_gamma   60.01260201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuO4
_chemical_formula_sum   'Al16 Cu8 O32'
_cell_volume   541.81501138
_cell_formula_units_Z   8
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
  Al  Al0  1  0.37778800  0.37778800  0.87418800  1.0
  Al  Al1  1  0.87021300  0.37789800  0.87419000  1.0
  Al  Al2  1  0.37789800  0.87021300  0.87419000  1.0
  Al  Al3  1  0.12559500  0.12559500  0.62456600  1.0
  Al  Al4  1  0.62620400  0.12545700  0.62439900  1.0
  Al  Al5  1  0.34655200  0.34655200  0.46965200  1.0
  Al  Al6  1  0.12545700  0.62620400  0.62439900  1.0
  Al  Al7  1  0.00078100  0.00078100  0.50258700  1.0
  Al  Al8  1  0.37723800  0.87058400  0.37512600  1.0
  Al  Al9  1  0.90562900  0.90562900  0.78466400  1.0
  Al  Al10  1  0.87058400  0.37723800  0.37512600  1.0
  Al  Al11  1  0.62588000  0.62588000  0.12457700  1.0
  Al  Al12  1  0.12172400  0.62640000  0.12491000  1.0
  Al  Al13  1  0.74808600  0.74808600  0.24968600  1.0
  Al  Al14  1  0.62640000  0.12172400  0.12491000  1.0
  Al  Al15  1  0.15651400  0.15651400  0.03140000  1.0
  Cu  Cu16  1  0.84297000  0.84297000  0.96909300  1.0
  Cu  Cu17  1  0.50038200  0.50038200  0.99760100  1.0
  Cu  Cu18  1  0.59423300  0.59423300  0.71566100  1.0
  Cu  Cu19  1  0.25136500  0.25136500  0.74603500  1.0
  Cu  Cu20  1  0.87063300  0.87063300  0.37561700  1.0
  Cu  Cu21  1  0.09198400  0.09198400  0.22191500  1.0
  Cu  Cu22  1  0.65732000  0.65732000  0.53206200  1.0
  Cu  Cu23  1  0.40591100  0.40591100  0.27836600  1.0
  O  O24  1  0.67516300  0.21842400  0.92915800  1.0
  O  O25  1  0.56044800  0.56044800  0.82090100  1.0
  O  O26  1  0.21842400  0.67516300  0.92915800  1.0
  O  O27  1  0.67594300  0.67594300  0.92889400  1.0
  O  O28  1  0.06615100  0.06615100  0.81922700  1.0
  O  O29  1  0.42571200  0.97149100  0.67678000  1.0
  O  O30  1  0.54915200  0.06689400  0.81908600  1.0
  O  O31  1  0.31205400  0.31205400  0.56490600  1.0
  O  O32  1  0.18902700  0.18902700  0.93178800  1.0
  O  O33  1  0.97149100  0.42571200  0.67678000  1.0
  O  O34  1  0.06689400  0.54915200  0.81908600  1.0
  O  O35  1  0.42635200  0.42635200  0.67617900  1.0
  O  O36  1  0.83309000  0.83309000  0.56873200  1.0
  O  O37  1  0.19427400  0.70660400  0.44211600  1.0
  O  O38  1  0.26779900  0.83503000  0.56819800  1.0
  O  O39  1  0.93770700  0.93770700  0.68744100  1.0
  O  O40  1  0.06276500  0.06276500  0.32874000  1.0
  O  O41  1  0.70660400  0.19427400  0.44211600  1.0
  O  O42  1  0.83503000  0.26779900  0.56819800  1.0
  O  O43  1  0.18165300  0.18165300  0.43846900  1.0
  O  O44  1  0.91685400  0.47649700  0.18398600  1.0
  O  O45  1  0.57675100  0.57675100  0.31724700  1.0
  O  O46  1  0.02618100  0.56400200  0.31325300  1.0
  O  O47  1  0.80931000  0.80931000  0.07328400  1.0
  O  O48  1  0.68389800  0.68389800  0.42821200  1.0
  O  O49  1  0.47649700  0.91685400  0.18398600  1.0
  O  O50  1  0.56400200  0.02618100  0.31325300  1.0
  O  O51  1  0.91840100  0.91840100  0.18409100  1.0
  O  O52  1  0.31323200  0.31323200  0.06715900  1.0
  O  O53  1  0.80611100  0.31382600  0.06699500  1.0
  O  O54  1  0.44186500  0.44186500  0.17066500  1.0
  O  O55  1  0.31382600  0.80611100  0.06699500  1.0