data_CdNi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNi2Rh
_chemical_formula_sum   'Cd1 Ni2 Rh1'
_cell_volume   55.8
_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  0.94  0.94  0.0  1.0
  Ni  Ni1  1  0.94  0.0  0.85  1.0
  Ni  Ni2  1  0.0  0.94  0.85  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_CdNi2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdNi2Rh
_chemical_formula_sum   'Cd2 Ni4 Rh2'
_cell_volume   111.61
_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  0.44  0.5  -0.0  1.0
  Ni  Ni1  4  0.47  0.47  0.85  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Cd Ni Ni Rh
Cd Ni Ni Rh 0 3 + + o 1 2 + - o 