data_Cd3Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Cl5
_chemical_formula_sum   'Cd6 Cl10'
_cell_volume   396.71
_cell_formula_units_Z   2
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  0.46  0.67  0.81  1.0
  Cd  Cd1  1  0.7  0.99  0.94  1.0
  Cd  Cd2  1  0.3  0.99  0.81  1.0
  Cd  Cd3  1  0.08  0.0  0.81  1.0
  Cd  Cd4  1  0.61  0.0  0.94  1.0
  Cd  Cd5  1  0.54  0.67  0.94  1.0
  Cl  Cl6  1  0.84  0.22  0.88  1.0
  Cl  Cl7  1  0.0  0.44  0.0  1.0
  Cl  Cl8  1  0.0  0.44  0.88  1.0
  Cl  Cl9  1  0.84  0.22  0.0  1.0
  Cl  Cl10  1  0.15  0.94  0.81  1.0
  Cl  Cl11  1  0.01  0.71  0.94  1.0
  Cl  Cl12  1  0.99  0.71  0.81  1.0
  Cl  Cl13  1  0.71  0.0  0.81  1.0
  Cl  Cl14  1  0.98  0.0  0.94  1.0
  Cl  Cl15  1  0.85  0.94  0.94  1.0

data_Cd3Cl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Cl5
_chemical_formula_sum   'Cd6 Cl10'
_cell_volume   396.71
_cell_formula_units_Z   2
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  0.08  0.0  0.81  1.0
  Cd  Cd1  1  0.3  0.99  0.81  1.0
  Cd  Cd2  1  0.46  0.67  0.81  1.0
  Cd  Cd3  1  0.54  0.67  0.94  1.0
  Cd  Cd4  1  0.61  0.0  0.94  1.0
  Cd  Cd5  1  0.7  0.99  0.94  1.0
  Cl  Cl6  1  -0.0  0.44  -0.0  1.0
  Cl  Cl7  1  -0.0  0.44  0.88  1.0
  Cl  Cl8  1  0.01  0.71  0.94  1.0
  Cl  Cl9  1  0.15  0.94  0.81  1.0
  Cl  Cl10  1  0.71  0.0  0.81  1.0
  Cl  Cl11  1  0.84  0.22  0.0  1.0
  Cl  Cl12  1  0.84  0.22  0.88  1.0
  Cl  Cl13  1  0.85  0.94  0.94  1.0
  Cl  Cl14  1  0.98  0.0  0.94  1.0
  Cl  Cl15  1  0.99  0.71  0.81  1.0

Cd Cd Cd Cd Cd Cd Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Cd Cd Cd Cd Cd Cd Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 5 o o o 1 4 o + o 1 13 o + o 2 10 o o o 3 10 o - o 6 9 o o + 7 8 o o - 11 12 - o o 14 15 o - o 