data_Ni2Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   68.55
_cell_angle_beta   68.55
_cell_angle_gamma   68.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Rh3
_chemical_formula_sum   'Ni4 Rh6'
_cell_volume   134.94
_cell_formula_units_Z   2
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  0.0  0.0  0.08  1.0
  Ni  Ni1  1  0.0  0.0  0.13  1.0
  Ni  Ni2  1  0.0  0.0  0.29  1.0
  Ni  Ni3  1  0.0  0.0  0.33  1.0
  Rh  Rh4  1  0.77  0.21  0.17  1.0
  Rh  Rh5  1  0.7  0.56  0.17  1.0
  Rh  Rh6  1  0.53  0.23  0.17  1.0
  Rh  Rh7  1  0.47  0.77  0.24  1.0
  Rh  Rh8  1  0.3  0.44  0.24  1.0
  Rh  Rh9  1  0.23  0.79  0.24  1.0

data_Ni2Rh3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   68.55
_cell_angle_beta   68.55
_cell_angle_gamma   68.55
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ni2Rh3
_chemical_formula_sum   'Ni4 Rh6'
_cell_volume   134.94
_cell_formula_units_Z   2
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  0.0  0.0  0.37  1.0
  Ni  Ni1  2  0.0  0.0  0.42  1.0
  Rh  Rh2  2  0.21  0.77  0.47  1.0
  Rh  Rh3  2  0.23  0.53  0.47  1.0
  Rh  Rh4  2  0.44  0.3  0.53  1.0

Ni Ni Ni Ni Rh Rh Rh Rh Rh Rh
Ni Ni Ni Ni Rh Rh Rh Rh Rh Rh 0 1 o o o 0 4 - o o 1 4 - o o 1 9 o - o 2 3 o o o 2 4 - o o 2 9 o - o 3 9 o - o 4 6 o o o 5 7 o o o 6 8 o o o 7 9 o o o 