data_[Ge4Pt2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8967]
_cell_length_b [9.6262]
_cell_length_c [7.9073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2PtI8]
_chemical_formula_sum '[Ge4 Pt2 I16]'
_cell_volume [1120.3615]
_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
[
  Ge  Ge0  4  0.2123  0.0000  0.3615  1
  Pt  Pt1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.1084  0.1957  0.1470  1
  I  I3  4  0.1010  0.5000  0.5752  1
  I  I4  4  0.1456  0.0000  0.6468  1
]