data_CdFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Rh
_chemical_formula_sum   'Cd1 Fe2 Rh1'
_cell_volume   56.86
_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
  Cd  Cd0  1  0.41  0.41  0.43  1.0
  Fe  Fe1  1  0.0  0.0  0.33  1.0
  Fe  Fe2  1  0.41  0.41  0.69  1.0
  Rh  Rh3  1  0.0  0.0  0.31  1.0

data_CdFe2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdFe2Rh
_chemical_formula_sum   'Cd2 Fe4 Rh2'
_cell_volume   113.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cd  Cd0  2  0.41  0.0  0.43  1.0
  Fe  Fe1  2  0.0  0.0  0.33  1.0
  Fe  Fe2  2  0.41  0.0  0.69  1.0
  Rh  Rh3  2  0.0  0.0  0.31  1.0

Cd Fe Fe Rh
Cd Fe Fe Rh 0 3 o o o 0 3 o + o 0 3 + o o 0 1 o o o 0 1 o + o 0 1 + o o 0 2 o o o 1 3 o o o 