data_SnGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   5.87
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   93.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeCl2
_chemical_formula_sum   'Sn1 Ge1 Cl2'
_cell_volume   102.39
_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
  Sn  Sn3  1  0.64  0.94  0.7  1.0
  Ge  Ge2  1  0.03  0.0  0.84  1.0
  Cl  Cl0  1  0.01  0.0  0.1  1.0
  Cl  Cl1  1  0.0  0.94  0.91  1.0

data_SnGeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.63
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnGeCl2
_chemical_formula_sum   'Sn1 Ge1 Cl2'
_cell_volume   102.39
_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
  Sn  Sn0  1  0.36  0.3  0.06  1.0
  Ge  Ge1  1  0.97  0.16  0.0  1.0
  Cl  Cl2  1  0.99  0.9  0.0  1.0
  Cl  Cl3  1  1.0  0.09  0.06  1.0

Sn Ge Cl Cl
Sn Ge Cl Cl 0 1 + + o 0 3 + o o 1 3 o - o 2 3 o - - 