# generated using pymatgen
data_Al18ReIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38685026
_cell_length_b   7.38654689
_cell_length_c   7.80948402
_cell_angle_alpha   90.00000389
_cell_angle_beta   89.98703320
_cell_angle_gamma   119.99864301
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al18ReIr5
_chemical_formula_sum   'Al18 Re1 Ir5'
_cell_volume   369.02828144
_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  0.66652861  0.00041372  0.07828657  1.0
  Al  Al1  1  0.33357434  0.33310971  0.07863325  1.0
  Al  Al2  1  0.99965633  0.66629605  0.08037663  1.0
  Al  Al3  1  0.33204887  0.66661101  0.24945178  1.0
  Al  Al4  1  0.00000000  0.99857664  0.24999900  1.0
  Al  Al5  1  0.66795013  0.33456114  0.25054722  1.0
  Al  Al6  1  0.33347139  0.33388411  0.42171243  1.0
  Al  Al7  1  0.00034367  0.66663872  0.41962237  1.0
  Al  Al8  1  0.66642566  0.99953437  0.42136575  1.0
  Al  Al9  1  0.32676474  0.99369231  0.58118563  1.0
  Al  Al10  1  0.99952968  0.33962543  0.58137562  1.0
  Al  Al11  1  0.67373144  0.66680654  0.58154017  1.0
  Al  Al12  1  0.33570344  0.66662953  0.74966243  1.0
  Al  Al13  1  1.00000000  0.00259803  0.74999900  1.0
  Al  Al14  1  0.66429556  0.33092609  0.75033657  1.0
  Al  Al15  1  0.00047132  0.34009575  0.91862338  1.0
  Al  Al16  1  0.67323426  0.66692656  0.91881337  1.0
  Al  Al17  1  0.32626856  0.99307409  0.91845883  1.0
  Re  Re18  1  0.00000000  0.66675834  0.74999900  1.0
  Ir  Ir19  1  0.33603607  0.00250653  0.24998054  1.0
  Ir  Ir20  1  0.00000000  0.33070448  0.24999900  1.0
  Ir  Ir21  1  0.66396393  0.66647046  0.25001746  1.0
  Ir  Ir22  1  0.66644339  0.99999988  0.74988053  1.0
  Ir  Ir23  1  0.33355661  0.33355649  0.75011747  1.0