data_NbNiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.66
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiRh2
_chemical_formula_sum   'Nb1 Ni1 Rh2'
_cell_volume   57.59
_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  Nb0  1  0.0  0.0  0.77  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.42  0.83  0.31  1.0
  Rh  Rh3  1  0.42  0.83  0.23  1.0

data_NbNiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.66
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNiRh2
_chemical_formula_sum   'Nb1 Ni1 Rh2'
_cell_volume   57.59
_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  Nb0  1  0.0  0.0  0.77  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.42  0.83  0.23  1.0
  Rh  Rh3  1  0.42  0.83  0.31  1.0

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