# generated using pymatgen
data_AlCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56359500
_cell_length_b   4.87081500
_cell_length_c   8.70290600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuO3
_chemical_formula_sum   'Al4 Cu4 O12'
_cell_volume   193.45191053
_cell_formula_units_Z   4
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  0.04200600  0.55499900  0.25000000  1.0
  Al  Al1  1  0.54200600  0.94500100  0.75000000  1.0
  Al  Al2  1  0.45799400  0.05499900  0.25000000  1.0
  Al  Al3  1  0.95799400  0.44500100  0.75000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu6  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.00000000  1.0
  O  O8  1  0.71707800  0.22359400  0.60416400  1.0
  O  O9  1  0.21707800  0.27640600  0.39583600  1.0
  O  O10  1  0.78292200  0.72359400  0.89583600  1.0
  O  O11  1  0.28292200  0.77640600  0.10416400  1.0
  O  O12  1  0.28292200  0.77640600  0.39583600  1.0
  O  O13  1  0.78292200  0.72359400  0.60416400  1.0
  O  O14  1  0.21707800  0.27640600  0.10416400  1.0
  O  O15  1  0.71707800  0.22359400  0.89583600  1.0
  O  O16  1  0.20621800  0.13963500  0.75000000  1.0
  O  O17  1  0.70621800  0.36036500  0.25000000  1.0
  O  O18  1  0.29378200  0.63963500  0.75000000  1.0
  O  O19  1  0.79378200  0.86036500  0.25000000  1.0