# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20465147
_cell_length_b   6.73257903
_cell_length_c   48.37386682
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.35754883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al16 Cu48'
_cell_volume   1821.71836235
_cell_formula_units_Z   16
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  0.486141  0.110004  0.293030  1
  Al  Al2  1  0.691734  0.530919  0.310993  1
  Al  Al3  1  0.137743  0.851077  0.349911  1
  Al  Al4  1  0.350317  0.268121  0.368361  1
  Al  Al5  1  0.791925  0.590591  0.405288  1
  Al  Al6  1  0.003252  0.007092  0.423642  1
  Al  Al7  1  0.444591  0.330255  0.461052  1
  Al  Al8  1  0.656284  0.747072  0.479282  1
  Al  Al9  1  0.097369  0.069930  0.516694  1
  Al  Al10  1  0.309063  0.486747  0.534924  1
  Al  Al11  1  0.750401  0.809909  0.572334  1
  Al  Al12  1  0.961729  0.226411  0.590688  1
  Al  Al13  1  0.403337  0.548881  0.627615  1
  Al  Al14  1  0.615911  0.965925  0.646064  1
  Al  Al15  1  0.061920  0.286082  0.684982  1
  Al  Al16  1  0.267513  0.706998  0.702946  1
  Cu  Cu17  1  0.307132  0.481036  0.321863  1
  Cu  Cu18  1  0.890552  0.150825  0.286452  1
  Cu  Cu19  1  0.074560  0.432006  0.282302  1
  Cu  Cu20  1  0.898509  0.798455  0.308271  1
  Cu  Cu21  1  0.112360  0.213331  0.326819  1
  Cu  Cu22  1  0.280687  0.843964  0.299036  1
  Cu  Cu23  1  0.955283  0.224106  0.376966  1
  Cu  Cu24  1  0.531651  0.896709  0.340606  1
  Cu  Cu25  1  0.723455  0.167863  0.335773  1
  Cu  Cu26  1  0.552986  0.536589  0.363286  1
  Cu  Cu27  1  0.764269  0.951212  0.381835  1
  Cu  Cu28  1  0.934925  0.582573  0.353705  1
  Cu  Cu29  1  0.608845  0.963750  0.432451  1
  Cu  Cu30  1  0.186031  0.634187  0.396497  1
  Cu  Cu31  1  0.377460  0.906273  0.391444  1
  Cu  Cu32  1  0.204475  0.275527  0.419384  1
  Cu  Cu33  1  0.417699  0.691345  0.437540  1
  Cu  Cu34  1  0.590372  0.322828  0.409799  1
  Cu  Cu35  1  0.261757  0.703458  0.488125  1
  Cu  Cu36  1  0.838905  0.373943  0.452184  1
  Cu  Cu37  1  0.030211  0.646325  0.447111  1
  Cu  Cu38  1  0.857558  0.015409  0.474908  1
  Cu  Cu39  1  0.070503  0.430930  0.493195  1
  Cu  Cu40  1  0.243186  0.061846  0.465437  1
  Cu  Cu41  1  0.914748  0.443059  0.543792  1
  Cu  Cu42  1  0.491897  0.113544  0.507851  1
  Cu  Cu43  1  0.683150  0.386072  0.502781  1
  Cu  Cu44  1  0.510467  0.755156  0.530538  1
  Cu  Cu45  1  0.723442  0.170677  0.548865  1
  Cu  Cu46  1  0.896095  0.801593  0.521067  1
  Cu  Cu47  1  0.567623  0.182815  0.599479  1
  Cu  Cu48  1  0.144809  0.853251  0.563525  1
  Cu  Cu49  1  0.335954  0.125657  0.558436  1
  Cu  Cu50  1  0.163281  0.494174  0.586177  1
  Cu  Cu51  1  0.376193  0.910729  0.604532  1
  Cu  Cu52  1  0.549179  0.541475  0.576592  1
  Cu  Cu53  1  0.222002  0.920292  0.655370  1
  Cu  Cu54  1  0.798371  0.592896  0.619009  1
  Cu  Cu55  1  0.989385  0.865790  0.614141  1
  Cu  Cu56  1  0.818728  0.234429  0.642270  1
  Cu  Cu57  1  0.030199  0.649139  0.660202  1
  Cu  Cu58  1  0.200667  0.280413  0.632690  1
  Cu  Cu59  1  0.863102  0.666176  0.709524  1
  Cu  Cu60  1  0.446521  0.335966  0.674113  1
  Cu  Cu61  1  0.641293  0.603671  0.669157  1
  Cu  Cu62  1  0.472966  0.973038  0.696940  1
  Cu  Cu63  1  0.679094  0.384996  0.713673  1
  Cu  Cu64  1  0.855145  0.018547  0.687705  1
