data_Nb2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.51
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbIr
_chemical_formula_sum   'Nb2 Sb1 Ir1'
_cell_volume   71.91
_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  Nb1  1  0.09  0.0  0.19  1.0
  Nb  Nb2  1  0.03  0.25  0.44  1.0
  Sb  Sb3  1  0.56  0.0  0.6  1.0
  Ir  Ir0  1  0.39  0.25  0.17  1.0

data_Nb2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.51
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbIr
_chemical_formula_sum   'Nb2 Sb1 Ir1'
_cell_volume   71.91
_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  0.03  0.25  0.44  1.0
  Nb  Nb1  1  0.09  0.0  0.19  1.0
  Sb  Sb2  1  0.56  0.0  0.6  1.0
  Ir  Ir3  1  0.39  0.25  0.17  1.0

Nb Nb Sb Ir