# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53054790
_cell_length_b   5.23431166
_cell_length_c   47.06858788
_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   'Al10 Cu30'
_cell_volume   1116.19859831
_cell_formula_units_Z   10
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  0.337052  0.501011  0.340666  1
  Al  Al2  1  0.667346  1.001011  0.293504  1
  Al  Al3  1  0.338150  0.501011  0.431031  1
  Al  Al4  1  0.663762  1.001011  0.385595  1
  Al  Al5  1  0.338186  0.501011  0.522018  1
  Al  Al6  1  0.664489  1.001011  0.476583  1
  Al  Al7  1  0.338913  0.501011  0.613005  1
  Al  Al8  1  0.664524  1.001011  0.567569  1
  Al  Al9  1  0.335329  0.501011  0.705096  1
  Al  Al10  1  0.665622  0.001011  0.657934  1
  Cu  Cu11  1  0.328056  1.001011  0.339842  1
  Cu  Cu12  1  0.673708  0.501011  0.295500  1
  Cu  Cu13  1  0.836868  0.753470  0.339945  1
  Cu  Cu14  1  0.836868  0.248552  0.339945  1
  Cu  Cu15  1  0.167602  0.748119  0.295252  1
  Cu  Cu16  1  0.167602  0.253904  0.295252  1
  Cu  Cu17  1  0.324821  1.001011  0.431131  1
  Cu  Cu18  1  0.679134  0.501011  0.385599  1
  Cu  Cu19  1  0.837384  0.751685  0.431098  1
  Cu  Cu20  1  0.837384  0.250338  0.431098  1
  Cu  Cu21  1  0.164604  0.751393  0.385639  1
  Cu  Cu22  1  0.164604  0.250629  0.385639  1
  Cu  Cu23  1  0.324892  1.001011  0.522049  1
  Cu  Cu24  1  0.677782  0.501011  0.476551  1
  Cu  Cu25  1  0.837525  0.751661  0.522044  1
  Cu  Cu26  1  0.837525  0.250362  0.522044  1
  Cu  Cu27  1  0.165150  0.750362  0.476556  1
  Cu  Cu28  1  0.165150  0.251661  0.476556  1
  Cu  Cu29  1  0.323541  1.001011  0.613001  1
  Cu  Cu30  1  0.677853  0.501011  0.567469  1
  Cu  Cu31  1  0.838070  0.750629  0.612961  1
  Cu  Cu32  1  0.838070  0.251393  0.612961  1
  Cu  Cu33  1  0.165290  0.750338  0.567502  1
  Cu  Cu34  1  0.165290  0.251685  0.567502  1
  Cu  Cu35  1  0.328967  1.001011  0.703100  1
  Cu  Cu36  1  0.674619  0.501011  0.658758  1
  Cu  Cu37  1  0.835073  0.753904  0.703348  1
  Cu  Cu38  1  0.835073  0.248119  0.703348  1
  Cu  Cu39  1  0.165807  0.748552  0.658655  1
  Cu  Cu40  1  0.165807  0.253470  0.658655  1
