# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27333543
_cell_length_b   12.31549400
_cell_length_c   55.63407572
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al40 Cu40'
_cell_volume   2927.92331485
_cell_formula_units_Z   40
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  0.990918  0.792890  0.378800  1
  Al  Al2  1  -0.009082  0.567232  0.466624  1
  Al  Al3  1  0.490918  0.072968  0.370538  1
  Al  Al4  1  0.490918  0.734342  0.461253  1
  Al  Al5  1  0.490918  0.680246  0.358048  1
  Al  Al6  1  0.490918  0.390778  0.471377  1
  Al  Al7  1  0.490918  0.099332  0.417107  1
  Al  Al8  1  0.490918  0.779124  0.523585  1
  Al  Al9  1  0.490918  0.476398  0.345303  1
  Al  Al10  1  0.490918  0.311954  0.426439  1
  Al  Al11  1  0.490918  0.067232  0.466624  1
  Al  Al12  1  0.490918  0.292890  0.378800  1
  Al  Al13  1  0.990918  0.234342  0.461253  1
  Al  Al14  1  0.990918  0.572968  0.370538  1
  Al  Al15  1  0.990918  0.890778  0.471377  1
  Al  Al16  1  -0.009082  0.180246  0.358048  1
  Al  Al17  1  0.990918  0.279124  0.523585  1
  Al  Al18  1  -0.009082  0.599332  0.417107  1
  Al  Al19  1  0.990918  0.811954  0.426439  1
  Al  Al20  1  0.990918  0.976398  0.345303  1
  Al  Al21  1  0.990918  0.182153  0.575437  1
  Al  Al22  1  -0.009082  0.012047  0.653622  1
  Al  Al23  1  0.490918  0.386217  0.562131  1
  Al  Al24  1  0.490918  0.133950  0.664333  1
  Al  Al25  1  0.490918  0.029026  0.569899  1
  Al  Al26  1  0.490918  0.750814  0.672626  1
  Al  Al27  1  0.490918  0.480297  0.605083  1
  Al  Al28  1  0.490918  0.348146  0.688760  1
  Al  Al29  1  0.490918  0.006988  0.515657  1
  Al  Al30  1  0.490918  0.694043  0.625638  1
  Al  Al31  1  0.490918  0.512047  0.653622  1
  Al  Al32  1  0.490918  0.682153  0.575437  1
  Al  Al33  1  -0.009082  0.633950  0.664333  1
  Al  Al34  1  -0.009082  0.886217  0.562131  1
  Al  Al35  1  0.990918  0.250814  0.672626  1
  Al  Al36  1  0.990918  0.529026  0.569899  1
  Al  Al37  1  -0.009082  0.848146  0.688760  1
  Al  Al38  1  -0.009082  0.980297  0.605083  1
  Al  Al39  1  0.990918  0.194043  0.625638  1
  Al  Al40  1  -0.009082  0.506988  0.515657  1
  Cu  Cu41  1  0.990918  0.564583  0.325005  1
  Cu  Cu42  1  -0.009082  0.205325  0.407473  1
  Cu  Cu43  1  0.990918  0.762601  0.333592  1
  Cu  Cu44  1  -0.009082  0.410889  0.437726  1
  Cu  Cu45  1  0.990918  1.001405  0.394916  1
  Cu  Cu46  1  -0.009082  0.712299  0.497725  1
  Cu  Cu47  1  0.490918  0.893623  0.393722  1
  Cu  Cu48  1  0.490918  0.588736  0.494030  1
  Cu  Cu49  1  0.490918  0.874605  0.347996  1
  Cu  Cu50  1  0.490918  0.539506  0.439460  1
  Cu  Cu51  1  0.490918  0.705325  0.407473  1
  Cu  Cu52  1  0.490918  0.064583  0.325005  1
  Cu  Cu53  1  0.490918  0.910889  0.437726  1
  Cu  Cu54  1  0.490918  0.262601  0.333592  1
  Cu  Cu55  1  0.490918  0.212299  0.497725  1
  Cu  Cu56  1  0.490918  0.501405  0.394916  1
  Cu  Cu57  1  0.990918  0.088736  0.494030  1
  Cu  Cu58  1  -0.009082  0.393623  0.393722  1
  Cu  Cu59  1  0.990918  0.039506  0.439460  1
  Cu  Cu60  1  -0.009082  0.374605  0.347996  1
  Cu  Cu61  1  -0.009082  0.893261  0.516713  1
  Cu  Cu62  1  0.990918  0.577249  0.618495  1
  Cu  Cu63  1  0.990918  0.072680  0.538488  1
  Cu  Cu64  1  -0.009082  0.808128  0.638357  1
  Cu  Cu65  1  0.990918  0.365493  0.598508  1
  Cu  Cu66  1  0.990918  0.070343  0.697508  1
  Cu  Cu67  1  0.490918  0.248075  0.595833  1
  Cu  Cu68  1  0.490918  0.961191  0.687882  1
  Cu  Cu69  1  0.490918  0.195588  0.543215  1
  Cu  Cu70  1  0.490918  0.909126  0.642593  1
  Cu  Cu71  1  0.490918  0.077249  0.618495  1
  Cu  Cu72  1  0.490918  0.393261  0.516713  1
  Cu  Cu73  1  0.490918  0.308128  0.638357  1
  Cu  Cu74  1  0.490918  0.572680  0.538488  1
  Cu  Cu75  1  0.490918  0.570343  0.697508  1
  Cu  Cu76  1  0.490918  0.865493  0.598508  1
  Cu  Cu77  1  0.990918  0.461191  0.687882  1
  Cu  Cu78  1  -0.009082  0.748075  0.595833  1
  Cu  Cu79  1  0.990918  0.409126  0.642593  1
  Cu  Cu80  1  -0.009082  0.695588  0.543215  1
