# generated using pymatgen
data_Al2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70083425
_cell_length_b   5.70083142
_cell_length_c   5.70083060
_cell_angle_alpha   59.99997723
_cell_angle_beta   59.99998966
_cell_angle_gamma   59.99999673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuO4
_chemical_formula_sum   'Al4 Cu2 O8'
_cell_volume   131.00854749
_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  0.50000000  0.00000000  0.50000000  1.0
  Al  Al1  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al2  1  0.50000000  0.50000000  0.00000000  1.0
  Al  Al3  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.12500000  0.12500000  0.12500000  1.0
  Cu  Cu5  1  0.87500000  0.87500000  0.87500000  1.0
  O  O6  1  0.73554453  0.73554453  0.73554453  1.0
  O  O7  1  0.26445447  0.26445547  0.70663560  1.0
  O  O8  1  0.26445547  0.70663560  0.26445547  1.0
  O  O9  1  0.70663560  0.26445547  0.26445547  1.0
  O  O10  1  0.73554453  0.29336440  0.73554453  1.0
  O  O11  1  0.29336440  0.73554453  0.73554453  1.0
  O  O12  1  0.26445547  0.26445547  0.26445547  1.0
  O  O13  1  0.73554553  0.73554453  0.29336440  1.0