data_NiMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   132.66
_cell_angle_beta   132.66
_cell_angle_gamma   69.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoRh2
_chemical_formula_sum   'Ni1 Mo1 Rh2'
_cell_volume   55.22
_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
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.89  0.94  1.0
  Rh  Rh2  1  0.89  0.0  0.94  1.0
  Rh  Rh3  1  0.0  0.0  0.87  1.0

data_NiMoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   4.7
_cell_angle_alpha   113.67
_cell_angle_beta   113.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoRh2
_chemical_formula_sum   'Ni1 Mo1 Rh2'
_cell_volume   55.22
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.95  0.89  0.95  1.0
  Rh  Rh2  1  0.06  0.0  0.95  1.0
  Rh  Rh3  1  0.13  0.0  0.13  1.0

Ni Mo Rh Rh
Ni Mo Rh Rh 0 2 - o - 0 1 o - - 0 3 o o - 