data_AlCd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Cl
_chemical_formula_sum   'Al1 Cd2 Cl1'
_cell_volume   93.89
_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
  Al  Al0  1  0.0  0.0  0.8  1.0
  Cd  Cd1  1  0.58  0.0  0.31  1.0
  Cd  Cd2  1  0.0  0.0  0.03  1.0
  Cl  Cl3  1  0.58  0.0  0.59  1.0

data_AlCd2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.25
_cell_length_b   5.52
_cell_length_c   10.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCd2Cl
_chemical_formula_sum   'Al2 Cd4 Cl2'
_cell_volume   187.88
_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
  Al  Al0  2  0.0  0.0  0.2  1.0
  Cd  Cd1  2  0.0  0.0  0.97  1.0
  Cd  Cd2  2  0.42  0.0  0.69  1.0
  Cl  Cl3  2  0.42  0.0  0.41  1.0

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