# generated using pymatgen
data_ScNb5Al16Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56578330
_cell_length_b   8.56578372
_cell_length_c   8.57674660
_cell_angle_alpha   59.95765399
_cell_angle_beta   59.95765238
_cell_angle_gamma   60.08469645
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb5Al16Ir7
_chemical_formula_sum   'Sc1 Nb5 Al16 Ir7'
_cell_volume   444.97985887
_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
  Sc  Sc0  1  0.18892140  0.18892140  0.81107860  1.0
  Nb  Nb1  1  0.18100129  0.81609908  0.81899871  1.0
  Nb  Nb2  1  0.81609908  0.18100129  0.18390092  1.0
  Nb  Nb3  1  0.81609908  0.18100129  0.81899871  1.0
  Nb  Nb4  1  0.82399421  0.82399421  0.17600579  1.0
  Nb  Nb5  1  0.18100129  0.81609908  0.18390092  1.0
  Al  Al6  1  0.83725767  0.83725767  0.83738106  1.0
  Al  Al7  1  0.83725767  0.83725767  0.48810360  1.0
  Al  Al8  1  0.48309831  0.83762798  0.83963686  1.0
  Al  Al9  1  0.83762798  0.48309831  0.83963686  1.0
  Al  Al10  1  0.16036314  0.16036314  0.16237202  1.0
  Al  Al11  1  0.16036314  0.16036314  0.51690169  1.0
  Al  Al12  1  0.16261894  0.51189640  0.16274233  1.0
  Al  Al13  1  0.51189640  0.16261894  0.16274233  1.0
  Al  Al14  1  0.61969086  0.61969086  0.61995634  1.0
  Al  Al15  1  0.61969086  0.61969086  0.14066095  1.0
  Al  Al16  1  0.13949674  0.62282383  0.61883922  1.0
  Al  Al17  1  0.62282383  0.13949674  0.61883922  1.0
  Al  Al18  1  0.38116078  0.38116078  0.37717617  1.0
  Al  Al19  1  0.38116078  0.38116078  0.86050326  1.0
  Al  Al20  1  0.38004366  0.85933905  0.38030914  1.0
  Al  Al21  1  0.85933905  0.38004366  0.38030914  1.0
  Ir  Ir22  1  0.49969457  0.49969457  0.50030543  1.0
  Ir  Ir23  1  0.99893371  0.50159358  0.49840642  1.0
  Ir  Ir24  1  0.50159358  0.99893371  0.00106629  1.0
  Ir  Ir25  1  0.50159358  0.99893371  0.49840642  1.0
  Ir  Ir26  1  0.49912185  0.49912185  0.00087815  1.0
  Ir  Ir27  1  0.99893371  0.50159358  0.00106629  1.0
  Ir  Ir28  1  0.99912185  0.99912185  0.50087815  1.0