data_NaFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.98
_cell_angle_alpha   103.91
_cell_angle_beta   103.91
_cell_angle_gamma   33.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeRh2
_chemical_formula_sum   'Na1 Fe1 Rh2'
_cell_volume   61.63
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  1.0  0.0  0.41  1.0
  Rh  Rh2  1  0.22  0.0  0.47  1.0
  Rh  Rh3  1  0.77  0.0  0.35  1.0

data_NaFeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.82
_cell_length_c   4.98
_cell_angle_alpha   103.91
_cell_angle_beta   90.0
_cell_angle_gamma   106.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeRh2
_chemical_formula_sum   'Na1 Fe1 Rh2'
_cell_volume   61.63
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.59  1.0
  Rh  Rh2  1  0.0  0.23  0.65  1.0
  Rh  Rh3  1  0.0  0.78  0.53  1.0

Na Fe Rh Rh
Na Fe Rh Rh 0 3 - o o 0 1 - o o 0 2 o o o 1 3 o o o 1 2 + o o 