# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25184470
_cell_length_b   6.88595898
_cell_length_c   48.37648689
_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   'Al12 Cu36'
_cell_volume   1416.36814687
_cell_formula_units_Z   12
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  0.502485  0.734783  0.294242  1
  Al  Al2  1  1.002485  0.135755  0.304427  1
  Al  Al3  1  0.502485  0.293765  0.365958  1
  Al  Al4  1  1.002485  0.712239  0.377836  1
  Al  Al5  1  0.502485  0.863513  0.437162  1
  Al  Al6  1  1.002485  0.284841  0.449372  1
  Al  Al7  1  0.502485  0.435192  0.508715  1
  Al  Al8  1  1.002485  0.857237  0.520830  1
  Al  Al9  1  0.502485  0.007104  0.580273  1
  Al  Al10  1  1.002485  0.428828  0.592315  1
  Al  Al11  1  0.502485  0.578653  0.651604  1
  Al  Al12  1  1.002485  0.997688  0.664356  1
  Cu  Cu13  1  0.502485  0.005701  0.331169  1
  Cu  Cu14  1  1.002485  0.428637  0.341114  1
  Cu  Cu15  1  0.502485  0.365661  0.312059  1
  Cu  Cu16  1  0.502485  0.649295  0.347216  1
  Cu  Cu17  1  1.002485  0.511611  0.290615  1
  Cu  Cu18  1  1.002485  0.787201  0.325127  1
  Cu  Cu19  1  0.502485  0.572192  0.402509  1
  Cu  Cu20  1  1.002485  0.005039  0.412353  1
  Cu  Cu21  1  0.502485  0.932981  0.383372  1
  Cu  Cu22  1  0.502485  0.219663  0.419338  1
  Cu  Cu23  1  1.002485  0.073483  0.359558  1
  Cu  Cu24  1  1.002485  0.356533  0.395926  1
  Cu  Cu25  1  0.502485  0.143064  0.474035  1
  Cu  Cu26  1  1.002485  0.577114  0.484067  1
  Cu  Cu27  1  0.502485  0.504607  0.455070  1
  Cu  Cu28  1  0.502485  0.791677  0.490760  1
  Cu  Cu29  1  1.002485  0.643823  0.431510  1
  Cu  Cu30  1  1.002485  0.928551  0.467240  1
  Cu  Cu31  1  0.502485  0.715321  0.545492  1
  Cu  Cu32  1  1.002485  0.148959  0.555619  1
  Cu  Cu33  1  0.502485  0.076590  0.526616  1
  Cu  Cu34  1  0.502485  0.363649  0.562253  1
  Cu  Cu35  1  1.002485  0.215734  0.503009  1
  Cu  Cu36  1  1.002485  0.500721  0.538778  1
  Cu  Cu37  1  0.502485  0.286780  0.616927  1
  Cu  Cu38  1  1.002485  0.720520  0.627125  1
  Cu  Cu39  1  0.502485  0.648410  0.598049  1
  Cu  Cu40  1  0.502485  0.935115  0.633830  1
  Cu  Cu41  1  1.002485  0.787764  0.574508  1
  Cu  Cu42  1  1.002485  0.071765  0.610503  1
  Cu  Cu43  1  0.502485  0.860188  0.688430  1
  Cu  Cu44  1  1.002485  0.294881  0.697515  1
  Cu  Cu45  1  0.502485  0.217799  0.669436  1
  Cu  Cu46  1  0.502485  0.497021  0.703534  1
  Cu  Cu47  1  1.002485  0.358064  0.645801  1
  Cu  Cu48  1  1.002485  0.641608  0.681894  1
