data_[V4Ge2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3635]
_cell_length_b [4.1632]
_cell_length_c [10.2498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2GeI6]
_chemical_formula_sum '[V4 Ge2 I12]'
_cell_volume [661.3865]
_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
[
  V  V0  4  0.1681  0.5000  0.3356  1
  Ge  Ge1  2  0.0000  0.0000  0.0000  1
  I  I2  4  0.0440  0.0000  0.3086  1
  I  I3  4  0.1390  0.5000  0.0457  1
  I  I4  4  0.2075  0.5000  0.6264  1
]