# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22430617
_cell_length_b   6.18760763
_cell_length_c   50.05659369
_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   'Al14 Cu42'
_cell_volume   1618.12727939
_cell_formula_units_Z   14
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  0.501971  0.480607  0.288813  1
  Al  Al2  1  1.001971  0.066929  0.297715  1
  Al  Al3  1  0.501971  0.008095  0.351602  1
  Al  Al4  1  0.001971  0.599710  0.361964  1
  Al  Al5  1  0.501971  0.537822  0.413673  1
  Al  Al6  1  1.001971  0.130772  0.424689  1
  Al  Al7  1  0.501971  0.068662  0.476289  1
  Al  Al8  1  0.001971  0.661808  0.487242  1
  Al  Al9  1  0.501971  0.599562  0.538953  1
  Al  Al10  1  1.001971  0.192939  0.549845  1
  Al  Al11  1  0.501971  0.130722  0.601574  1
  Al  Al12  1  0.001971  0.724006  0.612448  1
  Al  Al13  1  0.501971  0.662894  0.663650  1
  Al  Al14  1  1.001971  0.253650  0.675726  1
  Cu  Cu15  1  0.001971  0.489859  0.290754  1
  Cu  Cu16  1  0.501971  0.064341  0.299467  1
  Cu  Cu17  1  0.252650  0.744716  0.320285  1
  Cu  Cu18  1  0.751291  0.744716  0.320285  1
  Cu  Cu19  1  0.252198  0.333111  0.330455  1
  Cu  Cu20  1  0.751743  0.333111  0.330455  1
  Cu  Cu21  1  1.001971  0.016154  0.351266  1
  Cu  Cu22  1  0.501971  0.590702  0.361220  1
  Cu  Cu23  1  0.250424  0.272753  0.382481  1
  Cu  Cu24  1  0.753518  0.272753  0.382481  1
  Cu  Cu25  1  0.251491  0.864875  0.393224  1
  Cu  Cu26  1  0.752451  0.864875  0.393224  1
  Cu  Cu27  1  0.001971  0.545623  0.414503  1
  Cu  Cu28  1  0.501971  0.122643  0.423773  1
  Cu  Cu29  1  0.251498  0.803451  0.445064  1
  Cu  Cu30  1  0.752444  0.803451  0.445064  1
  Cu  Cu31  1  0.252617  0.396032  0.455870  1
  Cu  Cu32  1  0.751325  0.396032  0.455870  1
  Cu  Cu33  1  0.001971  0.076674  0.477115  1
  Cu  Cu34  1  0.501971  0.653865  0.486474  1
  Cu  Cu35  1  0.251516  0.334492  0.507680  1
  Cu  Cu36  1  0.752425  0.334492  0.507680  1
  Cu  Cu37  1  0.252554  0.926996  0.518488  1
  Cu  Cu38  1  0.751388  0.926996  0.518488  1
  Cu  Cu39  1  1.001971  0.607654  0.539717  1
  Cu  Cu40  1  0.501971  0.184862  0.549093  1
  Cu  Cu41  1  0.251429  0.865578  0.570278  1
  Cu  Cu42  1  0.752512  0.865578  0.570278  1
  Cu  Cu43  1  0.252403  0.457875  0.581147  1
  Cu  Cu44  1  0.751539  0.457875  0.581147  1
  Cu  Cu45  1  1.001971  0.138657  0.602301  1
  Cu  Cu46  1  0.501971  0.715740  0.611592  1
  Cu  Cu47  1  0.250910  0.395534  0.633096  1
  Cu  Cu48  1  0.753031  0.395534  0.633096  1
  Cu  Cu49  1  0.252169  0.990715  0.643796  1
  Cu  Cu50  1  0.751773  0.990715  0.643796  1
  Cu  Cu51  1  0.001971  0.670193  0.664515  1
  Cu  Cu52  1  0.501971  0.246630  0.674820  1
  Cu  Cu53  1  0.252937  0.925894  0.695421  1
  Cu  Cu54  1  0.751005  0.925894  0.695421  1
  Cu  Cu55  1  0.253710  0.524066  0.705221  1
  Cu  Cu56  1  0.750232  0.524066  0.705221  1
