data_Cd4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   148.38
_cell_angle_beta   148.38
_cell_angle_gamma   45.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4Cl
_chemical_formula_sum   'Cd4 Cl1'
_cell_volume   133.62
_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  0.14  0.0  0.63  1.0
  Cd  Cd1  1  0.0  0.14  0.63  1.0
  Cd  Cd2  1  0.0  0.0  0.66  1.0
  Cd  Cd3  1  0.0  0.0  0.87  1.0
  Cl  Cl4  1  0.0  0.0  0.0  1.0

data_Cd4Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   112.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd4Cl
_chemical_formula_sum   'Cd8 Cl2'
_cell_volume   267.23
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.07  0.07  0.51  1.0
  Cd  Cd1  2  0.0  0.0  0.13  1.0
  Cd  Cd2  2  0.0  0.0  0.34  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Cd Cd Cd Cd Cl