# generated using pymatgen
data_NbIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56531972
_cell_length_b   5.56532164
_cell_length_c   4.46542170
_cell_angle_alpha   89.99995943
_cell_angle_beta   90.00007064
_cell_angle_gamma   120.00017456
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIr3
_chemical_formula_sum   'Nb2 Ir6'
_cell_volume   119.77680779
_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  0.33333434  0.66666766  0.75000200  1.0
  Nb  Nb1  1  0.66666666  0.33333434  0.25000100  1.0
  Ir  Ir2  1  0.16364807  0.32729717  0.25000300  1.0
  Ir  Ir3  1  0.67270383  0.83635293  0.25000200  1.0
  Ir  Ir4  1  0.16364874  0.83635326  0.25000000  1.0
  Ir  Ir5  1  0.83635293  0.67270483  0.75000100  1.0
  Ir  Ir6  1  0.32729617  0.16364907  0.75000100  1.0
  Ir  Ir7  1  0.83635226  0.16364874  0.75000300  1.0