data_NbSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   137.45
_cell_angle_beta   122.03
_cell_angle_gamma   74.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2Ir
_chemical_formula_sum   'Nb1 Sb2 Ir1'
_cell_volume   79.72
_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  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.53  0.88  1.0
  Sb  Sb3  1  0.89  0.0  0.28  1.0
  Ir  Ir0  1  0.0  0.0  0.16  1.0

data_NbSb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   5.06
_cell_length_c   5.22
_cell_angle_alpha   118.98
_cell_angle_beta   111.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2Ir
_chemical_formula_sum   'Nb1 Sb2 Ir1'
_cell_volume   79.72
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.28  0.38  1.0
  Sb  Sb2  1  0.47  0.35  0.35  1.0
  Ir  Ir3  1  0.0  0.16  0.16  1.0

Nb Sb Sb Ir