# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28462212
_cell_length_b   16.57274429
_cell_length_c   49.58581371
_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   'Al50 Cu50'
_cell_volume   3520.98682405
_cell_formula_units_Z   50
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  -0.010375  0.701627  0.338056  1
  Al  Al2  1  0.489625  0.535854  0.374289  1
  Al  Al3  1  0.489625  0.969488  0.322935  1
  Al  Al4  1  0.489625  0.370718  0.372737  1
  Al  Al5  1  0.489625  0.131518  0.324268  1
  Al  Al6  1  0.489625  0.291098  0.324898  1
  Al  Al7  1  -0.010375  0.068286  0.296507  1
  Al  Al8  1  -0.010375  0.624087  0.387132  1
  Al  Al9  1  -0.010375  0.880926  0.337784  1
  Al  Al10  1  -0.010375  0.792313  0.385036  1
  Al  Al11  1  -0.010375  0.955756  0.389252  1
  Al  Al12  1  0.489625  0.959044  0.421553  1
  Al  Al13  1  0.489625  0.287587  0.422455  1
  Al  Al14  1  0.489625  0.795453  0.418677  1
  Al  Al15  1  0.489625  0.455528  0.421994  1
  Al  Al16  1  0.489625  0.625936  0.421438  1
  Al  Al17  1  -0.010375  0.289872  0.389476  1
  Al  Al18  1  0.989625  0.038265  0.439574  1
  Al  Al19  1  0.989625  0.121061  0.391168  1
  Al  Al20  1  -0.010375  0.202650  0.437527  1
  Al  Al21  1  0.989625  0.287892  0.482247  1
  Al  Al22  1  0.489625  0.286797  0.514561  1
  Al  Al23  1  0.489625  0.628038  0.514039  1
  Al  Al24  1  0.489625  0.120785  0.515656  1
  Al  Al25  1  0.489625  0.716189  0.467575  1
  Al  Al26  1  0.489625  0.878615  0.469662  1
  Al  Al27  1  0.989625  0.626931  0.480129  1
  Al  Al28  1  -0.010375  0.375661  0.529405  1
  Al  Al29  1  0.989625  0.457510  0.480537  1
  Al  Al30  1  -0.010375  0.542070  0.528170  1
  Al  Al31  1  -0.010375  0.785226  0.573690  1
  Al  Al32  1  0.489625  0.624722  0.604044  1
  Al  Al33  1  0.489625  0.037082  0.563490  1
  Al  Al34  1  0.489625  0.458310  0.606599  1
  Al  Al35  1  0.489625  0.205790  0.563301  1
  Al  Al36  1  0.489625  0.374527  0.561739  1
  Al  Al37  1  0.989625  0.035157  0.529852  1
  Al  Al38  1  0.989625  0.704444  0.621716  1
  Al  Al39  1  0.989625  0.948247  0.576199  1
  Al  Al40  1  0.989625  0.868292  0.624237  1
  Al  Al41  1  0.989625  0.038626  0.622950  1
  Al  Al42  1  0.489625  0.039804  0.656483  1
  Al  Al43  1  0.489625  0.372552  0.655550  1
  Al  Al44  1  0.489625  0.871036  0.657602  1
  Al  Al45  1  0.489625  0.543041  0.652036  1
  Al  Al46  1  0.489625  0.708185  0.654395  1
  Al  Al47  1  0.989625  0.373993  0.622386  1
  Al  Al48  1  0.989625  0.125906  0.672336  1
  Al  Al49  1  0.989625  0.206927  0.623279  1
  Al  Al50  1  0.989625  0.293225  0.673585  1
  Cu  Cu51  1  0.989625  0.224927  0.298763  1
  Cu  Cu52  1  0.989625  0.045748  0.345522  1
  Cu  Cu53  1  -0.010375  0.530817  0.342535  1
  Cu  Cu54  1  0.489625  0.616330  0.330299  1
  Cu  Cu55  1  0.489625  0.042444  0.373106  1
  Cu  Cu56  1  0.489625  0.790422  0.330112  1
  Cu  Cu57  1  0.489625  0.455959  0.328370  1
  Cu  Cu58  1  0.489625  0.201688  0.374465  1
  Cu  Cu59  1  0.989625  0.205008  0.346232  1
  Cu  Cu60  1  0.989625  0.372213  0.341540  1
  Cu  Cu61  1  0.989625  0.454035  0.389311  1
  Cu  Cu62  1  -0.010375  0.374666  0.435822  1
  Cu  Cu63  1  -0.010375  0.870986  0.437674  1
  Cu  Cu64  1  0.489625  0.881178  0.371070  1
  Cu  Cu65  1  0.489625  0.371978  0.468044  1
  Cu  Cu66  1  0.489625  0.120665  0.421935  1
  Cu  Cu67  1  0.489625  0.707617  0.372631  1
  Cu  Cu68  1  0.489625  0.539802  0.467298  1
  Cu  Cu69  1  0.989625  0.540946  0.434444  1
  Cu  Cu70  1  -0.010375  0.712908  0.434575  1
  Cu  Cu71  1  0.989625  0.794332  0.483658  1
  Cu  Cu72  1  -0.010375  0.711497  0.527672  1
  Cu  Cu73  1  -0.010375  0.122894  0.484588  1
  Cu  Cu74  1  0.489625  0.198660  0.468539  1
  Cu  Cu75  1  0.489625  0.792612  0.515636  1
  Cu  Cu76  1  0.489625  0.457822  0.512882  1
  Cu  Cu77  1  0.489625  0.040847  0.470505  1
  Cu  Cu78  1  0.489625  0.951977  0.515848  1
  Cu  Cu79  1  0.989625  0.871143  0.528092  1
  Cu  Cu80  1  0.989625  0.957298  0.484411  1
  Cu  Cu81  1  -0.010375  0.204982  0.531206  1
  Cu  Cu82  1  -0.010375  0.123993  0.576976  1
  Cu  Cu83  1  0.989625  0.622368  0.572922  1
  Cu  Cu84  1  0.489625  0.706069  0.559261  1
  Cu  Cu85  1  0.489625  0.122428  0.609161  1
  Cu  Cu86  1  0.489625  0.869858  0.560018  1
  Cu  Cu87  1  0.489625  0.539379  0.559386  1
  Cu  Cu88  1  0.489625  0.287844  0.608360  1
  Cu  Cu89  1  0.989625  0.290622  0.576522  1
  Cu  Cu90  1  -0.010375  0.463335  0.575405  1
  Cu  Cu91  1  -0.010375  0.542242  0.620965  1
  Cu  Cu92  1  0.989625  0.463672  0.668303  1
  Cu  Cu93  1  0.989625  0.954387  0.670031  1
  Cu  Cu94  1  0.489625  0.951795  0.609044  1
  Cu  Cu95  1  0.489625  0.466503  0.697150  1
  Cu  Cu96  1  0.489625  0.207779  0.654072  1
  Cu  Cu97  1  0.489625  0.792449  0.605764  1
  Cu  Cu98  1  0.489625  0.617749  0.697346  1
  Cu  Cu99  1  -0.010375  0.620756  0.668964  1
  Cu  Cu100  1  0.989625  0.784050  0.671058  1
