# generated using pymatgen
data_Al2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82222913
_cell_length_b   5.82222913
_cell_length_c   5.82222913
_cell_angle_alpha   122.65032850
_cell_angle_beta   121.64120534
_cell_angle_gamma   86.32431034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuO4
_chemical_formula_sum   'Al4 Cu2 O8'
_cell_volume   134.71504489
_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
  Al  Al0  1  0.61217100  0.86217100  0.75000000  1.0
  Al  Al1  1  0.38782900  0.13782900  0.25000000  1.0
  Al  Al2  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al3  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.00000000  1.0
  O  O6  1  0.77259500  0.26918400  0.50341100  1.0
  O  O7  1  0.26577300  0.26918400  0.99658900  1.0
  O  O8  1  0.73422700  0.73081600  0.00341100  1.0
  O  O9  1  0.26653300  0.28243600  0.51590300  1.0
  O  O10  1  0.26653300  0.75063000  0.98409700  1.0
  O  O11  1  0.22740500  0.73081600  0.49658900  1.0
  O  O12  1  0.73346700  0.24937000  0.01590300  1.0
  O  O13  1  0.73346700  0.71756400  0.48409700  1.0