# generated using pymatgen
data_Al2CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74969531
_cell_length_b   5.74969531
_cell_length_c   14.18636500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999203
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CuO4
_chemical_formula_sum   'Al12 Cu6 O24'
_cell_volume   406.15467617
_cell_formula_units_Z   6
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  0.83092200  0.16907800  0.83282000  1.0
  Al  Al1  1  0.83092200  0.66184400  0.83282000  1.0
  Al  Al2  1  0.16574300  0.83425700  0.49908500  1.0
  Al  Al3  1  0.33815600  0.16907800  0.83282000  1.0
  Al  Al4  1  0.33333300  0.66666700  0.71201600  1.0
  Al  Al5  1  0.33333300  0.66666700  0.33391600  1.0
  Al  Al6  1  0.16574300  0.33148600  0.49908500  1.0
  Al  Al7  1  0.49885100  0.50114900  0.16727700  1.0
  Al  Al8  1  0.66851400  0.83425700  0.49908500  1.0
  Al  Al9  1  0.49885100  0.99770200  0.16727700  1.0
  Al  Al10  1  0.00229800  0.50114900  0.16727700  1.0
  Al  Al11  1  0.00000000  0.00000000  0.04218300  1.0
  Cu  Cu12  1  0.33333300  0.66666700  0.95938200  1.0
  Cu  Cu13  1  0.66666700  0.33333300  0.99746300  1.0
  Cu  Cu14  1  0.66666700  0.33333300  0.62280600  1.0
  Cu  Cu15  1  0.00000000  0.00000000  0.29262100  1.0
  Cu  Cu16  1  0.00000000  0.00000000  0.66232700  1.0
  Cu  Cu17  1  0.66666700  0.33333300  0.37555400  1.0
  O  O18  1  0.51414900  0.48585100  0.90613600  1.0
  O  O19  1  0.66666700  0.33333300  0.76249000  1.0
  O  O20  1  0.51414900  0.02829700  0.90613600  1.0
  O  O21  1  0.97170300  0.48585100  0.90613600  1.0
  O  O22  1  0.84696300  0.15303700  0.57193900  1.0
  O  O23  1  0.67750700  0.83875400  0.75928000  1.0
  O  O24  1  0.00000000  0.00000000  0.90938500  1.0
  O  O25  1  0.00000000  0.00000000  0.43048800  1.0
  O  O26  1  0.84696300  0.69392700  0.57193900  1.0
  O  O27  1  0.16124600  0.32249300  0.75928000  1.0
  O  O28  1  0.30607300  0.15303700  0.57193900  1.0
  O  O29  1  0.16124600  0.83875400  0.75928000  1.0
  O  O30  1  0.04271600  0.52135800  0.42368500  1.0
  O  O31  1  0.18685600  0.81314400  0.24627000  1.0
  O  O32  1  0.33333300  0.66666700  0.58263900  1.0
  O  O33  1  0.47864200  0.95728400  0.42368500  1.0
  O  O34  1  0.33333300  0.66666700  0.09824100  1.0
  O  O35  1  0.18685600  0.37371200  0.24627000  1.0
  O  O36  1  0.62628800  0.81314400  0.24627000  1.0
  O  O37  1  0.47864200  0.52135800  0.42368500  1.0
  O  O38  1  0.33770800  0.16885400  0.09014200  1.0
  O  O39  1  0.66666700  0.33333300  0.22872200  1.0
  O  O40  1  0.83114600  0.66229200  0.09014200  1.0
  O  O41  1  0.83114600  0.16885400  0.09014200  1.0