data_[Ga2Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.4824]
_cell_length_b [6.0268]
_cell_length_c [6.4408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaSnI4]
_chemical_formula_sum '[Ga2 Sn2 I8]'
_cell_volume [506.7844]
_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
[
  Ga  Ga0  2  0.0837  0.5000  0.6269  1
  Sn  Sn1  2  0.3399  0.0000  0.8130  1
  I  I2  2  0.0810  0.5000  0.0553  1
  I  I3  2  0.0919  0.0000  0.5634  1
  I  I4  2  0.3215  0.5000  0.8348  1
  I  I5  2  0.3569  0.0000  0.3566  1
]