# generated using pymatgen
data_Sc8Al3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.62869284
_cell_length_b   9.62869175
_cell_length_c   6.31214902
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Al3Ir
_chemical_formula_sum   'Sc16 Al6 Ir2'
_cell_volume   506.80684854
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.27736949  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.77736949  1.0
  Sc  Sc2  1  0.17376263  0.82623737  0.00747704  1.0
  Sc  Sc3  1  0.82623737  0.17376263  0.50747704  1.0
  Sc  Sc4  1  0.17376263  0.34752725  0.00747704  1.0
  Sc  Sc5  1  0.65247275  0.82623737  0.00747704  1.0
  Sc  Sc6  1  0.34752725  0.17376263  0.50747704  1.0
  Sc  Sc7  1  0.82623737  0.65247275  0.50747704  1.0
  Sc  Sc8  1  0.33333300  0.66666700  0.65250948  1.0
  Sc  Sc9  1  0.66666700  0.33333300  0.15250948  1.0
  Sc  Sc10  1  0.47537496  0.52462504  0.28803055  1.0
  Sc  Sc11  1  0.52462504  0.47537496  0.78803055  1.0
  Sc  Sc12  1  0.47537496  0.95074991  0.28803055  1.0
  Sc  Sc13  1  0.04925009  0.52462504  0.28803055  1.0
  Sc  Sc14  1  0.95074991  0.47537496  0.78803055  1.0
  Sc  Sc15  1  0.52462504  0.04925009  0.78803055  1.0
  Al  Al16  1  0.16314852  0.83685148  0.52792366  1.0
  Al  Al17  1  0.83685148  0.16314852  0.02792366  1.0
  Al  Al18  1  0.16314852  0.32629804  0.52792366  1.0
  Al  Al19  1  0.67370196  0.83685148  0.52792366  1.0
  Al  Al20  1  0.32629804  0.16314852  0.02792366  1.0
  Al  Al21  1  0.83685148  0.67370196  0.02792366  1.0
  Ir  Ir22  1  0.33333300  0.66666700  0.07288527  1.0
  Ir  Ir23  1  0.66666700  0.33333300  0.57288527  1.0