data_[Ge4H24C4I12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.5425]
_cell_length_b [7.4314]
_cell_length_c [19.0285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GeH6C(IN)3]
_chemical_formula_sum '[Ge4 H24 C4 I12 N12]'
_cell_volume [1167.9878]
_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
[
  Ge  Ge0  4  0.5000  0.5235  0.2505  1
  H  H1  4  0.0331  0.2268  0.6992  1
  H  H2  4  0.0437  0.2397  0.5774  1
  H  H3  4  0.1345  0.7491  0.5157  1
  H  H4  4  0.1525  0.7299  0.8045  1
  H  H5  4  0.3883  0.7457  0.5210  1
  H  H6  4  0.3959  0.7426  0.9318  1
  C  C7  4  0.1657  0.7403  0.9160  1
  I  I8  4  0.2094  0.7277  0.6748  1
  I  I9  4  0.3507  0.2260  0.8208  1
  I  I10  4  0.3591  0.2278  0.6043  1
  N  N11  4  0.0796  0.7440  0.9539  1
  N  N12  4  0.0901  0.7296  0.8350  1
  N  N13  4  0.3275  0.7471  0.9592  1
]