data_NbNi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   2.78
_cell_angle_alpha   91.18
_cell_angle_beta   91.18
_cell_angle_gamma   109.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Rh
_chemical_formula_sum   'Nb1 Ni2 Rh1'
_cell_volume   53.65
_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  0.0  1.0
  Ni  Ni1  1  0.26  0.16  0.39  1.0
  Ni  Ni2  1  0.26  0.84  0.39  1.0
  Rh  Rh3  1  0.62  0.0  0.0  1.0

data_NbNi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   109.08
_cell_angle_beta   91.18
_cell_angle_gamma   91.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbNi2Rh
_chemical_formula_sum   'Nb1 Ni2 Rh1'
_cell_volume   53.65
_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  0.0  1.0
  Ni  Ni1  1  0.39  0.26  0.84  1.0
  Ni  Ni2  1  0.39  0.26  0.16  1.0
  Rh  Rh3  1  0.0  0.62  0.0  1.0

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