# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83435503
_cell_length_b   7.39002141
_cell_length_c   48.68546485
_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   'Al24 Cu8'
_cell_volume   1019.76303724
_cell_formula_units_Z   8
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  0.498582  0.511529  0.297397  1
  Al  Al2  1  0.998582  0.806848  0.273037  1
  Al  Al3  1  0.998582  0.216209  0.273037  1
  Al  Al4  1  0.498582  0.511529  0.361898  1
  Al  Al5  1  0.998582  0.758788  0.331069  1
  Al  Al6  1  0.998582  0.264269  0.331069  1
  Al  Al7  1  0.498582  0.511529  0.419619  1
  Al  Al8  1  0.998582  0.782793  0.390180  1
  Al  Al9  1  0.998582  0.240264  0.390180  1
  Al  Al10  1  0.498582  0.511529  0.478960  1
  Al  Al11  1  0.998582  0.775339  0.449347  1
  Al  Al12  1  -0.001418  0.247718  0.449347  1
  Al  Al13  1  0.498582  0.511529  0.537688  1
  Al  Al14  1  0.998582  0.778490  0.508283  1
  Al  Al15  1  -0.001418  0.244567  0.508283  1
  Al  Al16  1  0.498582  0.511529  0.596827  1
  Al  Al17  1  -0.001418  0.776468  0.567251  1
  Al  Al18  1  -0.001418  0.246589  0.567251  1
  Al  Al19  1  0.498582  0.511529  0.655405  1
  Al  Al20  1  -0.001418  0.779129  0.626259  1
  Al  Al21  1  -0.001418  0.243928  0.626259  1
  Al  Al22  1  0.498582  0.511529  0.714568  1
  Al  Al23  1  -0.001418  0.770330  0.685093  1
  Al  Al24  1  0.998582  0.252727  0.685093  1
  Cu  Cu25  1  0.498582  0.011529  0.306532  1
  Cu  Cu26  1  0.498582  0.011529  0.359615  1
  Cu  Cu27  1  0.498582  0.011529  0.420434  1
  Cu  Cu28  1  0.498582  0.011529  0.478567  1
  Cu  Cu29  1  0.498582  0.011529  0.537934  1
  Cu  Cu30  1  0.498582  0.011529  0.596522  1
  Cu  Cu31  1  0.498582  0.011529  0.656036  1
  Cu  Cu32  1  0.498582  0.011529  0.711272  1
