data_[Zn4Ge4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [12.1014]
_cell_length_b [4.0859]
_cell_length_c [6.8278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZnGeI]
_chemical_formula_sum '[Zn4 Ge4 I4]'
_cell_volume [337.6046]
_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
[
  Zn  Zn0  4  0.3954  0.0000  0.0054  1
  Ge  Ge1  2  0.0000  0.0000  0.4688  1
  Ge  Ge2  2  0.5000  0.0000  0.6711  1
  I  I3  4  0.1738  0.0000  0.0913  1
]