data_CdRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   2.98
_cell_angle_alpha   105.57
_cell_angle_beta   105.57
_cell_angle_gamma   115.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRh2Cl
_chemical_formula_sum   'Cd1 Rh2 Cl1'
_cell_volume   67.32
_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  0.87  0.0  0.0  1.0
  Rh  Rh2  1  0.68  0.28  0.29  1.0
  Rh  Rh3  1  0.68  0.72  0.29  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_CdRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.95
_cell_length_c   5.39
_cell_angle_alpha   117.0
_cell_angle_beta   105.57
_cell_angle_gamma   91.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRh2Cl
_chemical_formula_sum   'Cd1 Rh2 Cl1'
_cell_volume   67.32
_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  0.0  0.87  1.0
  Rh  Rh1  1  0.01  0.72  0.4  1.0
  Rh  Rh2  1  0.57  0.28  0.96  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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