data_Nb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.11
_cell_length_b   10.11
_cell_length_c   10.11
_cell_angle_alpha   164.11
_cell_angle_beta   157.29
_cell_angle_gamma   27.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Rh
_chemical_formula_sum   'Nb4 Rh2'
_cell_volume   109.15
_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  1.0  0.97  1.0
  Nb  Nb1  1  0.0  1.0  0.68  1.0
  Nb  Nb2  1  0.4  1.0  0.13  1.0
  Nb  Nb3  1  0.4  1.0  0.85  1.0
  Rh  Rh4  1  0.0  1.0  1.0  1.0
  Rh  Rh5  1  0.4  1.0  0.81  1.0

data_Nb2Rh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.79
_cell_length_b   3.98
_cell_length_c   10.11
_cell_angle_alpha   101.36
_cell_angle_beta   97.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb2Rh
_chemical_formula_sum   'Nb4 Rh2'
_cell_volume   109.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.27  0.47  1.0
  Nb  Nb1  2  0.0  0.44  0.24  1.0
  Rh  Rh2  2  0.0  0.41  0.21  1.0

Nb Nb Nb Nb Rh Rh
Nb Nb Nb Nb Rh Rh 0 4 o o o 1 2 o o + 3 5 o o o 