data_Nb2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2IrRh
_chemical_formula_sum   'Nb2 Ir1 Rh1'
_cell_volume   63.89
_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  0.43  0.06  0.44  1.0
  Nb  Nb2  1  0.43  0.94  0.44  1.0
  Ir  Ir0  1  0.87  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Nb2IrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   106.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2IrRh
_chemical_formula_sum   'Nb2 Ir1 Rh1'
_cell_volume   63.89
_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  0.44  0.43  0.94  1.0
  Nb  Nb1  1  0.44  0.43  0.06  1.0
  Ir  Ir2  1  -0.0  0.87  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Nb Nb Ir Rh
Nb Nb Ir Rh 0 1 o - o 2 3 + o o 