data_InGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   143.74
_cell_angle_beta   143.74
_cell_angle_gamma   52.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeCl2
_chemical_formula_sum   'In1 Ge1 Cl2'
_cell_volume   102.14
_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
  In  In3  1  0.0  0.07  0.98  1.0
  Ge  Ge2  1  0.0  0.0  0.97  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.07  0.0  0.98  1.0

data_InGeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   116.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGeCl2
_chemical_formula_sum   'In2 Ge2 Cl4'
_cell_volume   204.28
_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
  In  In0  2  0.07  0.0  0.08  1.0
  Ge  Ge1  2  0.01  0.0  0.03  1.0
  Cl  Cl2  2  0.0  0.0  0.08  1.0
  Cl  Cl3  2  0.49  0.5  0.0  1.0

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