data_CrCdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdCl2
_chemical_formula_sum   'Cr1 Cd1 Cl2'
_cell_volume   86.14
_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
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.43  0.0  0.0  1.0
  Cl  Cl1  1  0.72  0.27  0.81  1.0
  Cl  Cl2  1  0.72  0.73  0.81  1.0

data_CrCdCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.62
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrCdCl2
_chemical_formula_sum   'Cr1 Cd1 Cl2'
_cell_volume   86.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.43  1.0
  Cl  Cl2  2  0.81  0.27  0.72  1.0

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