# generated using pymatgen
data_Al2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.21543114
_cell_length_b   19.21543114
_cell_length_c   19.21543068
_cell_angle_alpha   17.20443146
_cell_angle_beta   17.20443146
_cell_angle_gamma   17.20443247
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuO4
_chemical_formula_sum   'Al16 Cu8 O32'
_cell_volume   541.59519318
_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  0.13023100  0.62226300  0.62226300  1.0
  Al  Al1  1  0.62226300  0.13023100  0.62226300  1.0
  Al  Al2  1  0.87228200  0.87228200  0.38000600  1.0
  Al  Al3  1  0.38000600  0.87228200  0.87228200  1.0
  Al  Al4  1  0.62226300  0.62226300  0.13023100  1.0
  Al  Al5  1  0.87228200  0.38000600  0.87228200  1.0
  Al  Al6  1  0.12377300  0.12377300  0.62669700  1.0
  Al  Al7  1  0.62669700  0.12377300  0.12377300  1.0
  Al  Al8  1  0.09446100  0.09446100  0.09446100  1.0
  Al  Al9  1  0.12377300  0.62669700  0.12377300  1.0
  Al  Al10  1  0.25014700  0.25014700  0.25014700  1.0
  Al  Al11  1  0.34474900  0.34474900  0.34474900  1.0
  Al  Al12  1  0.37401100  0.87746300  0.37401100  1.0
  Al  Al13  1  0.87746300  0.37401100  0.37401100  1.0
  Al  Al14  1  0.37401100  0.37401100  0.87746300  1.0
  Al  Al15  1  0.84387400  0.84387400  0.84387400  1.0
  Cu  Cu16  1  0.15660000  0.15660000  0.15660000  1.0
  Cu  Cu17  1  0.49936000  0.49936000  0.49936000  1.0
  Cu  Cu18  1  0.40606900  0.40606900  0.40606900  1.0
  Cu  Cu19  1  0.74912400  0.74912400  0.74912400  1.0
  Cu  Cu20  1  0.65567000  0.65567000  0.65567000  1.0
  Cu  Cu21  1  0.99884700  0.99884700  0.99884700  1.0
  Cu  Cu22  1  0.90652100  0.90652100  0.90652100  1.0
  Cu  Cu23  1  0.59393800  0.59393800  0.59393800  1.0
  O  O24  1  0.32384500  0.78188900  0.32384500  1.0
  O  O25  1  0.44075200  0.44075200  0.44075200  1.0
  O  O26  1  0.78188900  0.32384500  0.32384500  1.0
  O  O27  1  0.32384500  0.32384500  0.78188900  1.0
  O  O28  1  0.57407800  0.03125700  0.57407800  1.0
  O  O29  1  0.93486200  0.93486200  0.44939100  1.0
  O  O30  1  0.44939100  0.93486200  0.93486200  1.0
  O  O31  1  0.03125700  0.57407800  0.57407800  1.0
  O  O32  1  0.69057800  0.69057800  0.69057800  1.0
  O  O33  1  0.81055400  0.81055400  0.81055400  1.0
  O  O34  1  0.57407800  0.57407800  0.03125700  1.0
  O  O35  1  0.93486200  0.44939100  0.93486200  1.0
  O  O36  1  0.82311400  0.28258200  0.82311400  1.0
  O  O37  1  0.18427100  0.18427100  0.70124600  1.0
  O  O38  1  0.70124600  0.18427100  0.18427100  1.0
  O  O39  1  0.28258200  0.82311400  0.82311400  1.0
  O  O40  1  0.06122100  0.06122100  0.06122100  1.0
  O  O41  1  0.94094000  0.94094000  0.94094000  1.0
  O  O42  1  0.82311400  0.82311400  0.28258200  1.0
  O  O43  1  0.18427100  0.70124600  0.18427100  1.0
  O  O44  1  0.08169000  0.52129800  0.08169000  1.0
  O  O45  1  0.41785500  0.41785500  0.98205800  1.0
  O  O46  1  0.19126800  0.19126800  0.19126800  1.0
  O  O47  1  0.52129800  0.08169000  0.08169000  1.0
  O  O48  1  0.98205800  0.41785500  0.41785500  1.0
  O  O49  1  0.31242100  0.31242100  0.31242100  1.0
  O  O50  1  0.08169000  0.08169000  0.52129800  1.0
  O  O51  1  0.41785500  0.98205800  0.41785500  1.0
  O  O52  1  0.68704300  0.68704300  0.19345400  1.0
  O  O53  1  0.19345400  0.68704300  0.68704300  1.0
  O  O54  1  0.55715900  0.55715900  0.55715900  1.0
  O  O55  1  0.68704300  0.19345400  0.68704300  1.0