# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17251440
_cell_length_b   4.51171531
_cell_length_c   5.10701746
_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   'Al2 Cu6'
_cell_volume   96.14061028
_cell_formula_units_Z   2
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  0.00000000  0.00539000  0.00000000  1.0
  Al  Al1  1  0.50000000  0.32761000  0.50000000  1.0
  Cu  Cu2  1  -0.00000000  0.00382505  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.32917495  0.00000000  1.0
  Cu  Cu4  1  0.00000000  0.50643532  0.25094031  1.0
  Cu  Cu5  1  0.00000000  0.50643532  0.74905969  1.0
  Cu  Cu6  1  0.50000000  0.82656468  0.24905969  1.0
  Cu  Cu7  1  0.50000000  0.82656468  0.75094031  1.0