# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27234772
_cell_length_b   5.23639408
_cell_length_c   49.95937121
_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   1117.67588036
_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  0.500073  0.500812  0.333529  1
  Al  Al2  1  0.000073  1.000812  0.302392  1
  Al  Al3  1  0.500073  0.500812  0.423858  1
  Al  Al4  1  0.000073  1.000812  0.394331  1
  Al  Al5  1  0.500073  0.500812  0.514927  1
  Al  Al6  1  0.000073  1.000812  0.485272  1
  Al  Al7  1  0.500073  0.500812  0.605868  1
  Al  Al8  1  0.000073  1.000812  0.576341  1
  Al  Al9  1  0.500073  0.500812  0.697807  1
  Al  Al10  1  0.000073  0.000812  0.666670  1
  Cu  Cu11  1  0.500073  1.000812  0.333990  1
  Cu  Cu12  1  0.000073  0.500812  0.302769  1
  Cu  Cu13  1  0.500073  0.253357  0.288313  1
  Cu  Cu14  1  0.500073  0.748267  0.288313  1
  Cu  Cu15  1  0.000073  0.248979  0.348544  1
  Cu  Cu16  1  0.000073  0.752645  0.348544  1
  Cu  Cu17  1  0.500073  1.000812  0.425233  1
  Cu  Cu18  1  0.000073  0.500812  0.392819  1
  Cu  Cu19  1  0.500073  0.249234  0.378558  1
  Cu  Cu20  1  0.500073  0.752390  0.378558  1
  Cu  Cu21  1  0.000073  0.251572  0.439711  1
  Cu  Cu22  1  0.000073  0.750052  0.439711  1
  Cu  Cu23  1  0.500073  1.000812  0.516146  1
  Cu  Cu24  1  0.000073  0.500812  0.484053  1
  Cu  Cu25  1  0.500073  0.250505  0.469469  1
  Cu  Cu26  1  0.500073  0.751119  0.469469  1
  Cu  Cu27  1  0.000073  0.251119  0.530730  1
  Cu  Cu28  1  0.000073  0.750505  0.530730  1
  Cu  Cu29  1  0.500073  1.000812  0.607380  1
  Cu  Cu30  1  0.000073  0.500812  0.574966  1
  Cu  Cu31  1  0.500073  0.250052  0.560489  1
  Cu  Cu32  1  0.500073  0.751572  0.560489  1
  Cu  Cu33  1  0.000073  0.252390  0.621641  1
  Cu  Cu34  1  1.000073  0.749234  0.621641  1
  Cu  Cu35  1  0.500073  1.000812  0.697430  1
  Cu  Cu36  1  0.000073  0.500812  0.666209  1
  Cu  Cu37  1  0.500073  0.252645  0.651655  1
  Cu  Cu38  1  0.500073  0.748979  0.651655  1
  Cu  Cu39  1  0.000073  0.248267  0.711886  1
  Cu  Cu40  1  1.000073  0.753357  0.711886  1
