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 [P2_1]
_cell_length_a [5.6841]
_cell_length_b [8.3081]
_cell_length_c [7.4057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [InGeCl3]
_chemical_formula_sum '[In2 Ge2 Cl6]'
_cell_volume [342.5034]
_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  0.3837  0.8390  0.2587  1.0
  Ge  Ge1  2  0.0034  0.3969  0.2655  1.0
  Cl  Cl2  2  0.0285  0.1621  0.0876  1.0
  Cl  Cl3  2  0.0370  0.2604  0.5551  1.0
  Cl  Cl4  2  0.4250  0.4589  0.3220  1.0
]