data_[In4Ge4Cl12]
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/c]
_cell_length_a [9.8952]
_cell_length_b [6.6103]
_cell_length_c [10.3094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [InGeCl3]
_chemical_formula_sum '[In4 Ge4 Cl12]'
_cell_volume [621.3205]
_cell_formula_units_Z [4]
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  4  0.3874  0.1997  0.8735  1.0
  Ge  Ge1  4  0.1233  0.7284  0.1337  1.0
  Cl  Cl2  4  0.1085  0.5712  0.3349  1.0
  Cl  Cl3  4  0.2136  0.0786  0.5682  1.0
  Cl  Cl4  4  0.3702  0.6380  0.7651  1.0
]