data_SiGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.67
_cell_angle_alpha   101.47
_cell_angle_beta   101.47
_cell_angle_gamma   40.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGeCl2
_chemical_formula_sum   'Si1 Ge1 Cl2'
_cell_volume   81.02
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.88  0.0  0.77  1.0
  Cl  Cl0  1  0.34  0.0  0.17  1.0
  Cl  Cl1  1  0.41  0.0  0.37  1.0

data_SiGeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.76
_cell_length_c   5.67
_cell_angle_alpha   101.47
_cell_angle_beta   90.0
_cell_angle_gamma   110.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGeCl2
_chemical_formula_sum   'Si1 Ge1 Cl2'
_cell_volume   81.02
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.12  0.23  1.0
  Cl  Cl2  1  0.0  0.59  0.63  1.0
  Cl  Cl3  1  0.0  0.66  0.83  1.0

Si Ge Cl Cl