data_[Ga2Sn2I6]
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 [P2_1/m]
_cell_length_a [8.5702]
_cell_length_b [6.4920]
_cell_length_c [10.4229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaSnI3]
_chemical_formula_sum '[Ga2 Sn2 I6]'
_cell_volume [539.2431]
_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  0.2077  0.7500  0.5935  1.0
  Sn  Sn1  2  0.0367  0.2500  0.8521  1.0
  I  I2  2  0.0800  0.7500  0.8793  1.0
  I  I3  2  0.1647  0.2500  0.6054  1.0
  I  I4  2  0.3085  0.7500  0.3304  1.0
]