data_CdRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   4.74
_cell_angle_alpha   109.32
_cell_angle_beta   109.32
_cell_angle_gamma   31.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRh2Cl
_chemical_formula_sum   'Cd1 Rh2 Cl1'
_cell_volume   72.56
_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  0.32  0.0  0.14  1.0
  Rh  Rh2  1  0.17  0.0  0.0  1.0
  Rh  Rh3  1  0.83  0.0  0.85  1.0
  Cl  Cl1  1  0.35  0.0  0.68  1.0

data_CdRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.74
_cell_length_c   5.58
_cell_angle_alpha   109.32
_cell_angle_beta   105.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRh2Cl
_chemical_formula_sum   'Cd1 Rh2 Cl1'
_cell_volume   72.56
_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  0.0  0.14  0.32  1.0
  Rh  Rh1  1  0.0  0.0  0.17  1.0
  Rh  Rh2  1  0.0  0.85  0.83  1.0
  Cl  Cl3  1  0.0  0.68  0.35  1.0

Cd Rh Rh Cl
Cd Rh Rh Cl 0 1 o o o 0 3 o o o 0 3 o o - 1 2 - o - 1 3 o o - 2 3 o o o 