# generated using pymatgen
data_Nb5Al17Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60538756
_cell_length_b   8.60538830
_cell_length_c   8.51963501
_cell_angle_alpha   60.32910177
_cell_angle_beta   60.32909895
_cell_angle_gamma   59.34180914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Al17Ir7
_chemical_formula_sum   'Nb5 Al17 Ir7'
_cell_volume   446.02737896
_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
  Nb  Nb0  1  0.20794178  0.79066629  0.79205822  1.0
  Nb  Nb1  1  0.79066629  0.20794178  0.20933371  1.0
  Nb  Nb2  1  0.79066629  0.20794178  0.79205822  1.0
  Nb  Nb3  1  0.82234296  0.82234296  0.17765704  1.0
  Nb  Nb4  1  0.20794178  0.79066629  0.20933371  1.0
  Al  Al5  1  0.05261467  0.05261467  0.94738533  1.0
  Al  Al6  1  0.84801254  0.84801254  0.82866049  1.0
  Al  Al7  1  0.84801254  0.84801254  0.47531543  1.0
  Al  Al8  1  0.44808219  0.87304807  0.83943437  1.0
  Al  Al9  1  0.87304807  0.44808219  0.83943437  1.0
  Al  Al10  1  0.16056563  0.16056563  0.12695193  1.0
  Al  Al11  1  0.16056563  0.16056563  0.55191781  1.0
  Al  Al12  1  0.17133951  0.52468457  0.15198746  1.0
  Al  Al13  1  0.52468457  0.17133951  0.15198746  1.0
  Al  Al14  1  0.62828853  0.62828853  0.61695014  1.0
  Al  Al15  1  0.62828853  0.62828853  0.12647280  1.0
  Al  Al16  1  0.14670661  0.61674973  0.61827083  1.0
  Al  Al17  1  0.61674973  0.14670661  0.61827083  1.0
  Al  Al18  1  0.38172917  0.38172917  0.38325027  1.0
  Al  Al19  1  0.38172917  0.38172917  0.85329339  1.0
  Al  Al20  1  0.38304986  0.87352720  0.37171147  1.0
  Al  Al21  1  0.87352720  0.38304986  0.37171147  1.0
  Ir  Ir22  1  0.51003243  0.51003243  0.48996757  1.0
  Ir  Ir23  1  0.00238127  0.51021531  0.48978469  1.0
  Ir  Ir24  1  0.51021531  0.00238127  0.99761873  1.0
  Ir  Ir25  1  0.51021531  0.00238127  0.48978469  1.0
  Ir  Ir26  1  0.50911108  0.50911108  0.99088892  1.0
  Ir  Ir27  1  0.00238127  0.51021531  0.99761873  1.0
  Ir  Ir28  1  0.00911108  0.00911108  0.49088892  1.0