data_[Sn2Ge4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [15.1770]
_cell_length_b [9.7377]
_cell_length_c [7.9349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(GeI4)2]
_chemical_formula_sum '[Sn2 Ge4 I16]'
_cell_volume [1172.3581]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  4  0.1852  0.0000  0.6443  1.0
  I  I2  8  0.1287  0.2160  0.8316  1.0
  I  I3  4  0.1084  0.0000  0.3183  1.0
  I  I4  4  0.1435  0.5000  0.3182  1.0
]