data_NbSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbIr2
_chemical_formula_sum   'Nb1 Sb1 Ir2'
_cell_volume   68.86
_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  Nb2  1  0.0  0.0  0.51  1.0
  Sb  Sb3  1  0.54  0.54  0.6  1.0
  Ir  Ir0  1  0.0  0.0  0.22  1.0
  Ir  Ir1  1  0.54  0.54  0.9  1.0

data_NbSbIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbSbIr2
_chemical_formula_sum   'Nb2 Sb2 Ir4'
_cell_volume   137.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.51  1.0
  Sb  Sb1  2  0.04  0.5  0.6  1.0
  Ir  Ir2  2  0.0  0.0  0.22  1.0
  Ir  Ir3  2  0.04  0.5  0.9  1.0

Nb Sb Ir Ir
Nb Sb Ir Ir 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 o o o 1 3 o o o 