data_NbRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   13.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRh3
_chemical_formula_sum   'Nb6 Rh18'
_cell_volume   359.64
_cell_formula_units_Z   6
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  0.0  0.13  1.0
  Nb  Nb1  1  0.0  0.0  0.38  1.0
  Nb  Nb2  1  0.77  0.6  0.3  1.0
  Nb  Nb3  1  0.0  0.2  0.21  1.0
  Nb  Nb4  1  0.0  0.2  0.55  1.0
  Nb  Nb5  1  0.77  0.6  0.96  1.0
  Rh  Rh6  1  0.0  0.77  0.13  1.0
  Rh  Rh7  1  0.65  0.42  0.13  1.0
  Rh  Rh8  1  0.35  0.42  0.13  1.0
  Rh  Rh9  1  0.77  0.04  0.38  1.0
  Rh  Rh10  1  0.13  0.38  0.38  1.0
  Rh  Rh11  1  0.42  0.38  0.38  1.0
  Rh  Rh12  1  0.38  0.8  0.64  1.0
  Rh  Rh13  1  0.16  0.8  0.64  1.0
  Rh  Rh14  1  0.77  0.21  0.64  1.0
  Rh  Rh15  1  0.39  0.0  0.87  1.0
  Rh  Rh16  1  0.61  0.0  0.87  1.0
  Rh  Rh17  1  0.0  0.59  0.87  1.0
  Rh  Rh18  1  0.39  0.0  0.39  1.0
  Rh  Rh19  1  0.61  0.0  0.39  1.0
  Rh  Rh20  1  0.0  0.59  0.39  1.0
  Rh  Rh21  1  0.38  0.8  0.11  1.0
  Rh  Rh22  1  0.16  0.8  0.11  1.0
  Rh  Rh23  1  0.77  0.21  0.11  1.0

data_NbRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   13.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRh3
_chemical_formula_sum   'Nb6 Rh18'
_cell_volume   359.64
_cell_formula_units_Z   6
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  0.0  0.13  1.0
  Nb  Nb1  1  0.0  0.0  0.38  1.0
  Nb  Nb2  1  0.0  0.2  0.21  1.0
  Nb  Nb3  1  0.0  0.2  0.55  1.0
  Nb  Nb4  1  0.77  0.6  0.3  1.0
  Nb  Nb5  1  0.77  0.6  0.96  1.0
  Rh  Rh6  1  0.0  0.59  0.39  1.0
  Rh  Rh7  1  0.0  0.59  0.87  1.0
  Rh  Rh8  1  0.0  0.77  0.13  1.0
  Rh  Rh9  1  0.13  0.38  0.38  1.0
  Rh  Rh10  1  0.16  0.8  0.11  1.0
  Rh  Rh11  1  0.16  0.8  0.64  1.0
  Rh  Rh12  1  0.35  0.42  0.13  1.0
  Rh  Rh13  1  0.38  0.8  0.11  1.0
  Rh  Rh14  1  0.38  0.8  0.64  1.0
  Rh  Rh15  1  0.39  0.0  0.39  1.0
  Rh  Rh16  1  0.39  0.0  0.87  1.0
  Rh  Rh17  1  0.42  0.38  0.38  1.0
  Rh  Rh18  1  0.61  0.0  0.39  1.0
  Rh  Rh19  1  0.61  0.0  0.87  1.0
  Rh  Rh20  1  0.65  0.42  0.13  1.0
  Rh  Rh21  1  0.77  0.04  0.38  1.0
  Rh  Rh22  1  0.77  0.21  0.11  1.0
  Rh  Rh23  1  0.77  0.21  0.64  1.0

Nb Nb Nb Nb Nb Nb Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh