# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91122675
_cell_length_b   9.42843368
_cell_length_c   47.84928316
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.94953388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al72 Cu24'
_cell_volume   3233.3740638
_cell_formula_units_Z   24
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  0.141528  0.603857  0.301375  1
  Al  Al2  1  0.641528  0.603857  0.301375  1
  Al  Al3  1  0.982613  0.922656  0.288611  1
  Al  Al4  1  0.482613  0.922656  0.288611  1
  Al  Al5  1  0.998377  0.390387  0.285668  1
  Al  Al6  1  0.498377  0.390387  0.285668  1
  Al  Al7  1  0.947637  0.491450  0.339913  1
  Al  Al8  1  0.447637  0.491450  0.339913  1
  Al  Al9  1  0.791978  0.803326  0.322270  1
  Al  Al10  1  0.291978  0.803326  0.322270  1
  Al  Al11  1  0.801199  0.284442  0.320382  1
  Al  Al12  1  0.301199  0.284442  0.320382  1
  Al  Al13  1  0.751489  0.383465  0.377665  1
  Al  Al14  1  0.251489  0.383465  0.377665  1
  Al  Al15  1  0.594835  0.697260  0.359370  1
  Al  Al16  1  0.094835  0.697260  0.359370  1
  Al  Al17  1  0.604251  0.177971  0.359121  1
  Al  Al18  1  0.104251  0.177971  0.359121  1
  Al  Al19  1  0.555886  0.274440  0.415371  1
  Al  Al20  1  0.055886  0.274440  0.415371  1
  Al  Al21  1  0.398297  0.590007  0.397045  1
  Al  Al22  1  0.898297  0.590007  0.397045  1
  Al  Al23  1  0.410023  0.066095  0.395687  1
  Al  Al24  1  0.910023  0.066095  0.395687  1
  Al  Al25  1  0.361154  0.163621  0.452345  1
  Al  Al26  1  0.861154  0.163621  0.452345  1
  Al  Al27  1  0.202701  0.480898  0.434598  1
  Al  Al28  1  0.702701  0.480898  0.434598  1
  Al  Al29  1  0.215226  0.955298  0.432065  1
  Al  Al30  1  0.715226  0.955298  0.432065  1
  Al  Al31  1  0.166076  0.053427  0.489223  1
  Al  Al32  1  0.666076  0.053427  0.489223  1
  Al  Al33  1  0.007498  0.371043  0.472038  1
  Al  Al34  1  0.507498  0.371043  0.472038  1
  Al  Al35  1  0.019751  0.845865  0.469088  1
  Al  Al36  1  0.519751  0.845865  0.469088  1
  Al  Al37  1  0.970687  0.943840  0.526252  1
  Al  Al38  1  0.470687  0.943840  0.526252  1
  Al  Al39  1  0.812292  0.261170  0.509237  1
  Al  Al40  1  0.312292  0.261170  0.509237  1
  Al  Al41  1  0.824329  0.736380  0.506336  1
  Al  Al42  1  0.324329  0.736380  0.506336  1
  Al  Al43  1  0.775419  0.834030  0.563252  1
  Al  Al44  1  0.275419  0.834030  0.563252  1
  Al  Al45  1  0.616983  0.151455  0.546332  1
  Al  Al46  1  0.116983  0.151455  0.546332  1
  Al  Al47  1  0.629103  0.626552  0.543584  1
  Al  Al48  1  0.129103  0.626552  0.543584  1
  Al  Al49  1  0.580706  0.723164  0.600213  1
  Al  Al50  1  0.080706  0.723164  0.600213  1
  Al  Al51  1  0.421608  0.041824  0.583394  1
  Al  Al52  1  0.921608  0.041824  0.583394  1
  Al  Al53  1  0.433749  0.517001  0.581064  1
  Al  Al54  1  0.933749  0.517001  0.581064  1
  Al  Al55  1  0.385231  0.613872  0.638230  1
  Al  Al56  1  0.885231  0.613872  0.638230  1
  Al  Al57  1  0.226345  0.931960  0.620056  1
  Al  Al58  1  0.726345  0.931960  0.620056  1
  Al  Al59  1  0.238017  0.408149  0.618604  1
  Al  Al60  1  0.738017  0.408149  0.618604  1
  Al  Al61  1  0.187987  0.507933  0.676225  1
  Al  Al62  1  0.687987  0.507933  0.676225  1
  Al  Al63  1  0.032441  0.819419  0.656112  1
  Al  Al64  1  0.532441  0.819419  0.656112  1
  Al  Al65  1  0.042236  0.299426  0.655576  1
  Al  Al66  1  0.542236  0.299426  0.655576  1
  Al  Al67  1  0.996489  0.390542  0.710850  1
  Al  Al68  1  0.496489  0.390542  0.710850  1
  Al  Al69  1  0.836572  0.710634  0.695216  1
  Al  Al70  1  0.336572  0.710634  0.695216  1
  Al  Al71  1  0.845638  0.192713  0.692796  1
  Al  Al72  1  0.345638  0.192713  0.692796  1
  Cu  Cu73  1  0.145215  0.096931  0.306533  1
  Cu  Cu74  1  0.645215  0.096931  0.306533  1
  Cu  Cu75  1  0.947942  0.991150  0.341799  1
  Cu  Cu76  1  0.447942  0.991150  0.341799  1
  Cu  Cu77  1  0.752320  0.881959  0.377160  1
  Cu  Cu78  1  0.252320  0.881959  0.377160  1
  Cu  Cu79  1  0.556910  0.772337  0.414252  1
  Cu  Cu80  1  0.056910  0.772337  0.414252  1
  Cu  Cu81  1  0.361424  0.662961  0.451738  1
  Cu  Cu82  1  0.861424  0.662961  0.451738  1
  Cu  Cu83  1  0.165961  0.553609  0.489122  1
  Cu  Cu84  1  0.665961  0.553609  0.489122  1
  Cu  Cu85  1  0.970626  0.444015  0.526519  1
  Cu  Cu86  1  0.470626  0.444015  0.526519  1
  Cu  Cu87  1  0.775199  0.334576  0.563859  1
  Cu  Cu88  1  0.275199  0.334576  0.563859  1
  Cu  Cu89  1  0.579692  0.225231  0.600985  1
  Cu  Cu90  1  0.079692  0.225231  0.600985  1
  Cu  Cu91  1  0.384481  0.115256  0.638192  1
  Cu  Cu92  1  0.884481  0.115256  0.638192  1
  Cu  Cu93  1  0.188575  0.006538  0.674311  1
  Cu  Cu94  1  0.688575  0.006538  0.674311  1
  Cu  Cu95  1  0.989765  0.903110  0.707220  1
  Cu  Cu96  1  0.489765  0.903110  0.707220  1
