data_NiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.27
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiRh
_chemical_formula_sum   'Ni4 Rh4'
_cell_volume   102.33
_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
  Ni  Ni0  1  0.38  0.07  0.65  1.0
  Ni  Ni1  1  0.92  0.2  0.26  1.0
  Ni  Ni2  1  0.68  0.07  0.96  1.0
  Ni  Ni3  1  0.22  0.2  0.57  1.0
  Rh  Rh4  1  0.43  0.07  0.27  1.0
  Rh  Rh5  1  0.87  0.2  0.66  1.0
  Rh  Rh6  1  0.73  0.07  0.55  1.0
  Rh  Rh7  1  0.17  0.2  0.95  1.0

data_NiRh
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.27
_cell_length_b   4.6
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NiRh
_chemical_formula_sum   'Ni4 Rh4'
_cell_volume   102.33
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ni  Ni0  2  0.43  0.58  0.04  1.0
  Ni  Ni1  2  0.43  0.88  0.35  1.0
  Rh  Rh2  2  0.43  0.63  0.66  1.0
  Rh  Rh3  2  0.43  0.93  0.95  1.0

Ni Ni Ni Ni Rh Rh Rh Rh
Ni Ni Ni Ni Rh Rh Rh Rh 0 3 o o o 0 2 o o o 0 4 o o o 0 7 o o o 1 2 o o - 1 6 o o o 1 4 o o o 1 5 o o o 1 7 + o - 1 3 + o o 2 4 o o + 2 7 + o o 2 6 o o o 2 5 o o o 3 4 o o o 3 7 o o o 4 7 o o - 4 6 o o o 5 6 o o o 5 7 + o o 