data_[In8Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9411]
_cell_length_b [6.8926]
_cell_length_c [14.2444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InSn2]
_chemical_formula_sum '[In8 Sn16]'
_cell_volume [665.2918]
_cell_formula_units_Z [8]
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
[
  In  In0  8  0.1662  0.3738  0.0807  1.0
  Sn  Sn1  8  0.1712  0.1253  0.5857  1.0
  Sn  Sn2  4  0.0000  0.1273  0.2500  1.0
  Sn  Sn3  4  0.0000  0.3759  0.7500  1.0
]