# generated using pymatgen
data_NbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86964823
_cell_length_b   4.85902046
_cell_length_c   13.81701652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIr
_chemical_formula_sum   'Nb6 Ir6'
_cell_volume   192.66004948
_cell_formula_units_Z   6
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  0.00000000  0.04503689  0.25000000  1.0
  Nb  Nb1  1  -0.00000000  0.95496311  0.75000000  1.0
  Nb  Nb2  1  0.00000000  0.33033281  0.58502170  1.0
  Nb  Nb3  1  0.00000000  0.66966719  0.41497830  1.0
  Nb  Nb4  1  -0.00000000  0.33033281  0.91497830  1.0
  Nb  Nb5  1  -0.00000000  0.66966719  0.08502170  1.0
  Ir  Ir6  1  0.50000000  0.53475365  0.25000000  1.0
  Ir  Ir7  1  0.50000000  0.46524635  0.75000000  1.0
  Ir  Ir8  1  0.50000000  0.82816631  0.58254943  1.0
  Ir  Ir9  1  0.50000000  0.17183369  0.41745057  1.0
  Ir  Ir10  1  0.50000000  0.82816631  0.91745057  1.0
  Ir  Ir11  1  0.50000000  0.17183369  0.08254943  1.0