data_Nb2RhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.04
_cell_angle_alpha   97.44
_cell_angle_beta   97.44
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2RhCl
_chemical_formula_sum   'Nb2 Rh1 Cl1'
_cell_volume   66.94
_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  0.63  0.0  0.48  1.0
  Nb  Nb2  1  0.37  0.0  0.5  1.0
  Rh  Rh3  1  0.5  0.0  0.99  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2RhCl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.86
_cell_length_b   4.17
_cell_length_c   6.04
_cell_angle_alpha   97.44
_cell_angle_beta   90.0
_cell_angle_gamma   110.04
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb2RhCl
_chemical_formula_sum   'Nb2 Rh1 Cl1'
_cell_volume   66.94
_cell_formula_units_Z   1
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  0.37  0.52  1.0
  Rh  Rh1  1  0.0  0.5  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Nb Nb Rh Cl