data_Nb2RhCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2RhCl
_chemical_formula_sum   'Nb2 Rh1 Cl1'
_cell_volume   62.54
_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  0.47  0.47  0.75  1.0
  Nb  Nb2  1  0.47  0.47  0.47  1.0
  Rh  Rh3  1  0.0  0.0  0.61  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2RhCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2RhCl
_chemical_formula_sum   'Nb4 Rh2 Cl2'
_cell_volume   125.08
_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  0.47  0.0  0.47  1.0
  Nb  Nb1  2  0.47  0.0  0.75  1.0
  Rh  Rh2  2  0.0  0.0  0.61  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Nb Nb Rh Cl
Nb Nb Rh Cl 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 1 o o o 0 3 + + + 0 3 + o + 0 3 o + + 0 3 o o + 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 2 3 o o + 3 3 + o o 3 3 o + o 