data_CdGe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   136.37
_cell_angle_beta   136.37
_cell_angle_gamma   63.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGe2Cl
_chemical_formula_sum   'Cd1 Ge2 Cl1'
_cell_volume   87.12
_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  0.0  0.85  1.0
  Ge  Ge2  1  0.12  0.0  0.43  1.0
  Ge  Ge3  1  0.0  0.12  0.43  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_CdGe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   121.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdGe2Cl
_chemical_formula_sum   'Cd2 Ge4 Cl2'
_cell_volume   174.25
_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  2  0.15  0.0  0.15  1.0
  Ge  Ge1  4  0.13  0.44  0.69  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Cd Ge Ge Cl
Cd Ge Ge Cl 0 3 o o + 1 2 o o o 