# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05572184
_cell_length_b   6.31517560
_cell_length_c   6.32456864
_cell_angle_alpha   65.48687748
_cell_angle_beta   71.36152755
_cell_angle_gamma   71.43809003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al5 Cu5'
_cell_volume   136.37894604
_cell_formula_units_Z   5
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  Al0  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al1  1  0.84514971  0.46048356  0.84957741  1.0
  Al  Al2  1  0.15485029  0.53951644  0.15042259  1.0
  Al  Al3  1  0.62316791  0.99377092  0.76059171  1.0
  Al  Al4  1  0.37683209  0.00622908  0.23940829  1.0
  Cu  Cu5  1  0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu6  1  0.73969721  0.24150696  0.27583163  1.0
  Cu  Cu7  1  0.26030279  0.75849304  0.72416837  1.0
  Cu  Cu8  1  0.89095358  0.77254544  0.44562536  1.0
  Cu  Cu9  1  0.10904642  0.22745456  0.55437464  1.0