# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53054137
_cell_length_b   11.28172331
_cell_length_c   51.54860476
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al24 Cu72'
_cell_volume   2634.76848335
_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  0.337336  0.636464  0.330949  1
  Al  Al2  1  0.337792  0.212979  0.290191  1
  Al  Al3  1  0.661643  0.486707  0.274298  1
  Al  Al4  1  0.673895  0.919833  0.310468  1
  Al  Al5  1  0.337518  0.495063  0.407654  1
  Al  Al6  1  0.339233  0.065787  0.369059  1
  Al  Al7  1  0.665016  0.350193  0.350152  1
  Al  Al8  1  0.663179  0.780981  0.388067  1
  Al  Al9  1  0.337857  0.353500  0.484604  1
  Al  Al10  1  0.337965  0.924291  0.445949  1
  Al  Al11  1  0.664302  0.209387  0.426779  1
  Al  Al12  1  0.663838  0.639023  0.465287  1
  Al  Al13  1  0.337980  0.212032  0.561677  1
  Al  Al14  1  0.337872  0.782873  0.523014  1
  Al  Al15  1  0.664201  0.068168  0.503817  1
  Al  Al16  1  0.663934  0.497379  0.542293  1
  Al  Al17  1  0.337453  0.070424  0.638587  1
  Al  Al18  1  0.337730  0.641385  0.600035  1
  Al  Al19  1  0.664117  0.926898  0.580824  1
  Al  Al20  1  0.662790  0.355570  0.619454  1
  Al  Al21  1  0.348931  0.928208  0.716145  1
  Al  Al22  1  0.335454  0.499771  0.676094  1
  Al  Al23  1  0.666428  0.786119  0.657631  1
  Al  Al24  1  0.660165  0.215440  0.697929  1
  Cu  Cu25  1  0.324191  0.421797  0.311914  1
  Cu  Cu26  1  0.317954  0.991820  0.274791  1
  Cu  Cu27  1  0.671031  0.703143  0.292026  1
  Cu  Cu28  1  0.673892  0.136291  0.330049  1
  Cu  Cu29  1  0.837679  0.744059  0.340072  1
  Cu  Cu30  1  0.838852  0.314939  0.302343  1
  Cu  Cu31  1  0.834833  0.528911  0.321372  1
  Cu  Cu32  1  0.833577  0.100549  0.282902  1
  Cu  Cu33  1  0.167717  0.811382  0.301206  1
  Cu  Cu34  1  0.166671  0.242722  0.339776  1
  Cu  Cu35  1  0.163308  0.596488  0.283319  1
  Cu  Cu36  1  0.170140  0.031882  0.320936  1
  Cu  Cu37  1  0.323714  0.280071  0.388354  1
  Cu  Cu38  1  0.326039  0.852208  0.349231  1
  Cu  Cu39  1  0.677796  0.565613  0.369267  1
  Cu  Cu40  1  0.678077  0.994957  0.407443  1
  Cu  Cu41  1  0.836994  0.602928  0.417226  1
  Cu  Cu42  1  0.838353  0.172728  0.378562  1
  Cu  Cu43  1  0.836894  0.387273  0.398085  1
  Cu  Cu44  1  0.837779  0.958592  0.358920  1
  Cu  Cu45  1  0.164228  0.673391  0.378678  1
  Cu  Cu46  1  0.164870  0.101985  0.417136  1
  Cu  Cu47  1  0.164923  0.458087  0.359713  1
  Cu  Cu48  1  0.164294  0.888092  0.397725  1
  Cu  Cu49  1  0.324526  0.138825  0.465319  1
  Cu  Cu50  1  0.324864  0.709903  0.426733  1
  Cu  Cu51  1  0.677576  0.424223  0.446112  1
  Cu  Cu52  1  0.677411  0.853619  0.484500  1
  Cu  Cu53  1  0.837169  0.461070  0.494234  1
  Cu  Cu54  1  0.837190  0.031733  0.455694  1
  Cu  Cu55  1  0.837147  0.245915  0.474915  1
  Cu  Cu56  1  0.837378  0.816827  0.436266  1
  Cu  Cu57  1  0.164587  0.531459  0.455665  1
  Cu  Cu58  1  0.164850  0.960653  0.494104  1
  Cu  Cu59  1  0.165112  0.317022  0.436536  1
  Cu  Cu60  1  0.164555  0.746571  0.474910  1
  Cu  Cu61  1  0.324412  0.997510  0.542299  1
  Cu  Cu62  1  0.324374  0.568205  0.503802  1
  Cu  Cu63  1  0.677362  0.282727  0.523114  1
  Cu  Cu64  1  0.677482  0.712160  0.561514  1
  Cu  Cu65  1  0.837285  0.319503  0.571326  1
  Cu  Cu66  1  0.837184  0.890421  0.532707  1
  Cu  Cu67  1  0.837088  0.104625  0.551948  1
  Cu  Cu68  1  0.837190  0.675323  0.513367  1
  Cu  Cu69  1  0.164553  0.389794  0.532689  1
  Cu  Cu70  1  0.165030  0.819273  0.571113  1
  Cu  Cu71  1  0.164812  0.175692  0.513519  1
  Cu  Cu72  1  0.164742  0.604994  0.551955  1
  Cu  Cu73  1  0.324497  0.856290  0.619338  1
  Cu  Cu74  1  0.324624  0.426519  0.580812  1
  Cu  Cu75  1  0.677547  0.141320  0.600253  1
  Cu  Cu76  1  0.679850  0.570910  0.638374  1
  Cu  Cu77  1  0.835536  0.178354  0.648924  1
  Cu  Cu78  1  0.837390  0.749116  0.609597  1
  Cu  Cu79  1  0.838393  0.963537  0.628964  1
  Cu  Cu80  1  0.836726  0.533633  0.590317  1
  Cu  Cu81  1  0.163437  0.248054  0.609876  1
  Cu  Cu82  1  0.166388  0.678954  0.648093  1
  Cu  Cu83  1  0.164790  0.034260  0.590465  1
  Cu  Cu84  1  0.163435  0.462980  0.628728  1
  Cu  Cu85  1  0.337274  0.713663  0.696290  1
  Cu  Cu86  1  0.325879  0.284380  0.658144  1
  Cu  Cu87  1  0.678880  0.999721  0.677020  1
  Cu  Cu88  1  0.668807  0.436811  0.714770  1
  Cu  Cu89  1  0.852032  0.032886  0.723428  1
  Cu  Cu90  1  0.836200  0.608074  0.686399  1
  Cu  Cu91  1  0.845664  0.817238  0.705735  1
  Cu  Cu92  1  0.835563  0.391092  0.667565  1
  Cu  Cu93  1  0.169160  0.106991  0.686571  1
  Cu  Cu94  1  0.163816  0.537874  0.722849  1
  Cu  Cu95  1  0.167716  0.893029  0.668005  1
  Cu  Cu96  1  0.160536  0.324128  0.706006  1
