data_CdCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCl5
_chemical_formula_sum   'Cd1 Cl5'
_cell_volume   171.34
_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  0.88  0.0  0.68  1.0
  Cl  Cl1  1  0.88  0.75  0.0  1.0
  Cl  Cl2  1  0.88  0.49  0.68  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0
  Cl  Cl4  1  0.88  0.51  0.68  1.0
  Cl  Cl5  1  0.88  0.25  0.0  1.0

data_CdCl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   6.47
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCl5
_chemical_formula_sum   'Cd1 Cl5'
_cell_volume   171.34
_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  0.88  0.68  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.25  0.13  0.0  1.0
  Cl  Cl3  1  0.49  0.37  0.68  1.0
  Cl  Cl4  1  0.51  0.39  0.68  1.0
  Cl  Cl5  1  0.75  0.63  0.0  1.0

Cd Cl Cl Cl Cl Cl