# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94157306
_cell_length_b   9.45048213
_cell_length_c   49.14250706
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al24 Cu12'
_cell_volume   1366.12649171
_cell_formula_units_Z   12
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  1.000000  0.642195  0.294251  1
  Al  Al2  1  1.000000  0.083602  0.328524  1
  Al  Al3  1  1.000000  0.373361  0.309594  1
  Al  Al4  1  0.000000  0.876022  0.365000  1
  Al  Al5  1  0.000000  0.593113  0.346860  1
  Al  Al6  1  0.000000  0.129320  0.387561  1
  Al  Al7  1  1.000000  0.408607  0.388814  1
  Al  Al8  1  1.000000  0.685981  0.403276  1
  Al  Al9  1  0.000000  0.475249  0.439382  1
  Al  Al10  1  0.000000  0.842514  0.487993  1
  Al  Al11  1  0.000000  0.036277  0.450557  1
  Al  Al12  1  1.000000  0.565742  0.487488  1
  Al  Al13  1  0.000000  0.282452  0.480807  1
  Al  Al14  1  0.000000  0.653705  0.536897  1
  Al  Al15  1  1.000000  0.930372  0.538038  1
  Al  Al16  1  1.000000  0.209554  0.543504  1
  Al  Al17  1  0.000000  0.014192  0.587352  1
  Al  Al18  1  1.000000  0.367549  0.630126  1
  Al  Al19  1  1.000000  0.459170  0.573734  1
  Al  Al20  1  1.000000  0.087836  0.639025  1
  Al  Al21  1  0.000000  0.802430  0.621559  1
  Al  Al22  1  1.000000  0.059878  0.693510  1
  Al  Al23  1  1.000000  0.604492  0.661283  1
  Al  Al24  1  0.000000  0.781175  0.703434  1
  Cu  Cu25  1  0.500000  0.292274  0.351001  1
  Cu  Cu26  1  0.500000  0.822035  0.322194  1
  Cu  Cu27  1  0.500000  0.243550  0.428655  1
  Cu  Cu28  1  0.500000  0.924295  0.411421  1
  Cu  Cu29  1  0.500000  0.077587  0.501168  1
  Cu  Cu30  1  0.500000  0.728033  0.448527  1
  Cu  Cu31  1  0.500000  0.768683  0.575927  1
  Cu  Cu32  1  0.500000  0.415567  0.523612  1
  Cu  Cu33  1  0.500000  0.577711  0.612845  1
  Cu  Cu34  1  0.500000  0.242702  0.592219  1
  Cu  Cu35  1  0.500000  0.268231  0.670357  1
  Cu  Cu36  1  0.500000  0.874547  0.663504  1
