data_[Ga6Sn3I18]
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 [R3]
_cell_length_a [7.6742]
_cell_length_b [7.6742]
_cell_length_c [25.2021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ga2SnI6]
_chemical_formula_sum '[Ga6 Sn3 I18]'
_cell_volume [1285.3852]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2854  1
  Ga  Ga1  3  0.0000  0.0000  0.3816  1
  Sn  Sn2  3  0.0000  0.0000  0.6666  1
  I  I3  9  0.0293  0.3352  0.2477  1
  I  I4  9  0.0312  0.6949  0.4192  1
]