# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78336135
_cell_length_b   2.78336135
_cell_length_c   54.23941363
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al9 Cu3'
_cell_volume   420.198184263
_cell_formula_units_Z   3
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  Al1  1  0.507717  0.507717  0.362658  1
  Al  Al2  1  1.007717  0.007717  0.400644  1
  Al  Al3  1  1.007717  1.007717  0.324758  1
  Al  Al4  1  0.507717  0.507717  0.505645  1
  Al  Al5  1  0.007717  1.007717  0.543631  1
  Al  Al6  1  1.007717  1.007717  0.467659  1
  Al  Al7  1  0.507717  0.507717  0.648637  1
  Al  Al8  1  0.007717  1.007717  0.686773  1
  Al  Al9  1  1.007717  1.007717  0.610646  1
  Cu  Cu10  1  0.507717  0.507717  0.292026  1
  Cu  Cu11  1  0.507717  0.507717  0.434151  1
  Cu  Cu12  1  0.507717  0.507717  0.577138  1
