data_NbRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRh4
_chemical_formula_sum   'Nb4 Rh16'
_cell_volume   330.52
_cell_formula_units_Z   4
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  0.12  0.88  0.88  1.0
  Nb  Nb1  1  0.48  0.48  0.48  1.0
  Nb  Nb2  1  0.88  0.88  0.12  1.0
  Nb  Nb3  1  0.88  0.12  0.88  1.0
  Rh  Rh4  1  0.48  0.52  0.52  1.0
  Rh  Rh5  1  0.84  0.84  0.84  1.0
  Rh  Rh6  1  0.52  0.52  0.48  1.0
  Rh  Rh7  1  0.52  0.48  0.52  1.0
  Rh  Rh8  1  0.0  0.0  0.96  1.0
  Rh  Rh9  1  0.0  0.0  0.75  1.0
  Rh  Rh10  1  0.0  0.96  0.0  1.0
  Rh  Rh11  1  0.0  0.75  0.0  1.0
  Rh  Rh12  1  0.75  0.0  0.0  1.0
  Rh  Rh13  1  0.96  0.0  0.0  1.0
  Rh  Rh14  1  0.0  0.36  0.18  1.0
  Rh  Rh15  1  0.36  0.0  0.18  1.0
  Rh  Rh16  1  0.36  0.18  0.0  1.0
  Rh  Rh17  1  0.0  0.18  0.36  1.0
  Rh  Rh18  1  0.18  0.36  0.0  1.0
  Rh  Rh19  1  0.18  0.0  0.36  1.0

data_NbRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.32
_cell_length_b   12.32
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbRh4
_chemical_formula_sum   'Nb12 Rh48'
_cell_volume   991.55
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  9  0.16  0.08  0.96  1.0
  Nb  Nb1  3  0.0  0.0  0.48  1.0
  Rh  Rh2  18  -0.0  0.18  0.18  1.0
  Rh  Rh3  9  0.01  0.02  0.51  1.0
  Rh  Rh4  9  0.01  0.02  0.99  1.0
  Rh  Rh5  9  0.08  0.17  0.92  1.0
  Rh  Rh6  3  0.0  0.0  0.84  1.0

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