data_NbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   133.84
_cell_angle_beta   133.84
_cell_angle_gamma   67.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIr
_chemical_formula_sum   'Nb2 Ir2'
_cell_volume   64.56
_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  Nb2  1  0.0  0.97  0.09  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.17  1.0
  Ir  Ir1  1  0.97  0.0  0.09  1.0

data_NbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.02
_cell_angle_alpha   113.08
_cell_angle_beta   113.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIr
_chemical_formula_sum   'Nb2 Ir2'
_cell_volume   64.56
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.88  0.97  0.88  1.0
  Ir  Ir2  1  0.83  0.0  0.83  1.0
  Ir  Ir3  1  0.91  0.0  0.88  1.0

Nb Nb Ir Ir