# generated using pymatgen
data_Al13(CuSe8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42514994
_cell_length_b   7.42514994
_cell_length_c   18.31780253
_cell_angle_alpha   89.69556042
_cell_angle_beta   89.69556042
_cell_angle_gamma   60.50049463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al13(CuSe8)3
_chemical_formula_sum   'Al13 Cu3 Se24'
_cell_volume   878.97092527
_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  0.66706600  0.66706600  0.09137500  1.0
  Al  Al1  1  0.34125100  0.34125100  0.41647700  1.0
  Al  Al2  1  0.00317900  0.00317900  0.74777500  1.0
  Al  Al3  1  0.16434400  0.67210600  0.20651400  1.0
  Al  Al4  1  0.82822900  0.34366200  0.54250500  1.0
  Al  Al5  1  0.49355800  0.01306100  0.87873900  1.0
  Al  Al6  1  0.99724600  0.99724600  0.37308200  1.0
  Al  Al7  1  0.66931700  0.66931700  0.70223100  1.0
  Al  Al8  1  0.67210600  0.16434400  0.20651400  1.0
  Al  Al9  1  0.34366200  0.82822900  0.54250500  1.0
  Al  Al10  1  0.01306100  0.49355800  0.87873900  1.0
  Al  Al11  1  0.16363500  0.16363500  0.20660000  1.0
  Al  Al12  1  0.49321500  0.49321500  0.87900800  1.0
  Cu  Cu13  1  0.99943200  0.99943200  0.99675600  1.0
  Cu  Cu14  1  0.66618700  0.66618700  0.33556200  1.0
  Cu  Cu15  1  0.32909000  0.32909000  0.66552800  1.0
  Se  Se16  1  0.48799700  0.48799700  0.12700300  1.0
  Se  Se17  1  0.15663900  0.15663900  0.46110400  1.0
  Se  Se18  1  0.82236300  0.82236300  0.79434600  1.0
  Se  Se19  1  0.02313400  0.48881300  0.12682700  1.0
  Se  Se20  1  0.68790500  0.15416400  0.46159600  1.0
  Se  Se21  1  0.35846600  0.82030300  0.79505700  1.0
  Se  Se22  1  0.33257600  0.33257600  0.28320100  1.0
  Se  Se23  1  0.99910600  0.99910600  0.61750600  1.0
  Se  Se24  1  0.66681300  0.66681300  0.95114600  1.0
  Se  Se25  1  0.48881300  0.02313400  0.12682700  1.0
  Se  Se26  1  0.15416400  0.68790500  0.46159600  1.0
  Se  Se27  1  0.82030300  0.35846600  0.79505700  1.0
  Se  Se28  1  0.84394800  0.31386300  0.28956100  1.0
  Se  Se29  1  0.50893700  0.98330300  0.62199900  1.0
  Se  Se30  1  0.17599000  0.64743600  0.95751800  1.0
  Se  Se31  1  0.00014200  0.00014200  0.13026500  1.0
  Se  Se32  1  0.66556100  0.66556100  0.46398600  1.0
  Se  Se33  1  0.33379700  0.33379700  0.79820000  1.0
  Se  Se34  1  0.31386300  0.84394800  0.28956100  1.0
  Se  Se35  1  0.98330300  0.50893700  0.62199900  1.0
  Se  Se36  1  0.64743600  0.17599000  0.95751800  1.0
  Se  Se37  1  0.84193000  0.84193000  0.28862600  1.0
  Se  Se38  1  0.50833000  0.50833000  0.62351000  1.0
  Se  Se39  1  0.17671200  0.17671200  0.95748700  1.0