data_[In2Ge2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1681]
_cell_length_b [7.5152]
_cell_length_c [5.6477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InGeCl3]
_chemical_formula_sum '[In2 Ge2 Cl6]'
_cell_volume [346.6796]
_cell_formula_units_Z [2]
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  In0  2  0.4050  0.5000  0.0820  1
  Ge  Ge1  2  0.4816  0.0000  0.4490  1
  Cl  Cl2  4  0.2813  0.2390  0.4420  1
  Cl  Cl3  2  0.0292  0.5000  0.0282  1
]