data_NaMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   4.78
_cell_angle_alpha   102.66
_cell_angle_beta   102.66
_cell_angle_gamma   30.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoRh2
_chemical_formula_sum   'Na1 Mo1 Rh2'
_cell_volume   63.26
_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  0.12  0.0  0.97  1.0
  Mo  Mo0  1  0.62  0.0  0.58  1.0
  Rh  Rh2  1  0.7  0.0  0.11  1.0
  Rh  Rh3  1  0.8  0.0  0.34  1.0

data_NaMoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.78
_cell_length_c   5.16
_cell_angle_alpha   102.66
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoRh2
_chemical_formula_sum   'Na1 Mo1 Rh2'
_cell_volume   63.26
_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  0.97  0.12  1.0
  Mo  Mo1  1  0.0  0.58  0.62  1.0
  Rh  Rh2  1  0.0  0.11  0.7  1.0
  Rh  Rh3  1  0.0  0.34  0.8  1.0

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