data_[Sn2Ge1I6]
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 [P-31m]
_cell_length_a [7.7721]
_cell_length_b [7.7721]
_cell_length_c [7.6477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Sn2GeI6]
_chemical_formula_sum '[Sn2 Ge1 I6]'
_cell_volume [400.0763]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.5000  1
  Ge  Ge1  1  0.0000  0.0000  0.5000  1
  I  I2  6  0.0000  0.3165  0.7361  1
]