# generated using pymatgen
data_Nb6Al11Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95473302
_cell_length_b   8.95473302
_cell_length_c   8.22499600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Al11Ir
_chemical_formula_sum   'Nb12 Al22 Ir2'
_cell_volume   571.17822604
_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
  Nb  Nb0  1  0.33992600  0.00000000  0.06253400  1.0
  Nb  Nb1  1  0.66007400  0.00000000  0.93746600  1.0
  Nb  Nb2  1  0.00000000  0.33992600  0.06253400  1.0
  Nb  Nb3  1  0.66007400  0.00000000  0.56253400  1.0
  Nb  Nb4  1  0.00000000  0.33992600  0.43746600  1.0
  Nb  Nb5  1  0.00000000  0.66007400  0.93746600  1.0
  Nb  Nb6  1  0.33992600  0.00000000  0.43746600  1.0
  Nb  Nb7  1  0.00000000  0.66007400  0.56253400  1.0
  Nb  Nb8  1  0.66007400  0.66007400  0.06253400  1.0
  Nb  Nb9  1  0.33992600  0.33992600  0.93746600  1.0
  Nb  Nb10  1  0.33992600  0.33992600  0.56253400  1.0
  Nb  Nb11  1  0.66007400  0.66007400  0.43746600  1.0
  Al  Al12  1  0.16084900  0.49090500  0.75000000  1.0
  Al  Al13  1  0.83915100  0.50909500  0.25000000  1.0
  Al  Al14  1  0.50909500  0.66994400  0.75000000  1.0
  Al  Al15  1  0.49090500  0.16084900  0.75000000  1.0
  Al  Al16  1  0.49090500  0.33005600  0.25000000  1.0
  Al  Al17  1  0.50909500  0.83915100  0.25000000  1.0
  Al  Al18  1  0.33005600  0.83915100  0.75000000  1.0
  Al  Al19  1  0.66994400  0.50909500  0.75000000  1.0
  Al  Al20  1  0.66994400  0.16084900  0.25000000  1.0
  Al  Al21  1  0.33005600  0.49090500  0.25000000  1.0
  Al  Al22  1  0.83915100  0.33005600  0.75000000  1.0
  Al  Al23  1  0.16084900  0.66994400  0.25000000  1.0
  Al  Al24  1  0.33333300  0.66666700  0.50000000  1.0
  Al  Al25  1  0.66666700  0.33333300  0.50000000  1.0
  Al  Al26  1  0.66666700  0.33333300  0.00000000  1.0
  Al  Al27  1  0.33333300  0.66666700  0.00000000  1.0
  Al  Al28  1  0.16602900  0.00000000  0.75000000  1.0
  Al  Al29  1  0.83397100  0.00000000  0.25000000  1.0
  Al  Al30  1  0.00000000  0.16602900  0.75000000  1.0
  Al  Al31  1  0.00000000  0.83397100  0.25000000  1.0
  Al  Al32  1  0.83397100  0.83397100  0.75000000  1.0
  Al  Al33  1  0.16602900  0.16602900  0.25000000  1.0
  Ir  Ir34  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir35  1  0.00000000  0.00000000  0.00000000  1.0