[CIF]
data_AlCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54162168
_cell_length_b   3.54162168
_cell_length_c   6.42864884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuSe2
_chemical_formula_sum   'Al1 Cu1 Se2'
_cell_volume   80.63508321
_cell_formula_units_Z   1
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  0.00000000  3.13683169  1
  Cu  Cu1  1  1.77081084  1.77081084  5.02605839  1
  Se  Se2  1  0.00000000  0.00000000  5.56954568  1
  Se  Se3  1  1.77081084  1.77081084  2.33918635  1
[/CIF]
