# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13791729
_cell_length_b   5.13791729
_cell_length_c   4.20614006
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999804
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al2 Cu6'
_cell_volume   96.15870093
_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  0.33333300  0.66666700  0.75000000  1.0
  Al  Al1  1  0.66666700  0.33333300  0.25000000  1.0
  Cu  Cu2  1  0.16553236  0.33106571  0.25000000  1.0
  Cu  Cu3  1  0.66893429  0.83446764  0.25000000  1.0
  Cu  Cu4  1  0.16553236  0.83446764  0.25000000  1.0
  Cu  Cu5  1  0.83446764  0.66893429  0.75000000  1.0
  Cu  Cu6  1  0.33106571  0.16553236  0.75000000  1.0
  Cu  Cu7  1  0.83446764  0.16553236  0.75000000  1.0