# generated using pymatgen
data_AlCu5Se6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73697794
_cell_length_b   6.73697731
_cell_length_c   12.25285242
_cell_angle_alpha   79.56765968
_cell_angle_beta   100.43234095
_cell_angle_gamma   69.88056754
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu5Se6
_chemical_formula_sum   'Al2 Cu10 Se12'
_cell_volume   495.39728399
_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  0.41762626  0.08523791  0.83198027  1.0
  Al  Al1  1  0.08523791  0.41762626  0.16801973  1.0
  Cu  Cu2  1  0.74618494  0.74618494  0.50000000  1.0
  Cu  Cu3  1  0.83729218  0.16124594  0.66454651  1.0
  Cu  Cu4  1  0.50342809  0.50342809  0.00000000  1.0
  Cu  Cu5  1  0.16124594  0.83729218  0.33545349  1.0
  Cu  Cu6  1  0.24461414  0.24461414  0.50000000  1.0
  Cu  Cu7  1  0.92017863  0.58764331  0.83104555  1.0
  Cu  Cu8  1  0.58764331  0.92017863  0.16895445  1.0
  Cu  Cu9  1  0.32746611  0.67136296  0.66469327  1.0
  Cu  Cu10  1  0.00328565  0.00328565  0.00000000  1.0
  Cu  Cu11  1  0.67136296  0.32746611  0.33530673  1.0
  Se  Se12  1  0.12549578  0.62674068  0.99848292  1.0
  Se  Se13  1  0.79082219  0.95489368  0.33715921  1.0
  Se  Se14  1  0.45760632  0.29382309  0.66323449  1.0
  Se  Se15  1  0.62674068  0.12549578  0.00151708  1.0
  Se  Se16  1  0.29382309  0.45760632  0.33676551  1.0
  Se  Se17  1  0.95489368  0.79082219  0.66284079  1.0
  Se  Se18  1  0.03813310  0.21081044  0.83081829  1.0
  Se  Se19  1  0.70681921  0.54283421  0.16896886  1.0
  Se  Se20  1  0.37285641  0.87359775  0.50002350  1.0
  Se  Se21  1  0.87359775  0.37285641  0.49997650  1.0
  Se  Se22  1  0.54283421  0.70681921  0.83103114  1.0
  Se  Se23  1  0.21081044  0.03813310  0.16918171  1.0