data_[In3Ag3Sn6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0493]
_cell_length_b [8.0493]
_cell_length_c [22.4291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [InAg(SnI3)2]
_chemical_formula_sum '[In3 Ag3 Sn6 I18]'
_cell_volume [1258.5147]
_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
[
  In  In0  3  0.0000  0.0000  0.8183  1.0
  Ag  Ag1  3  0.0000  0.0000  0.3254  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0049  1.0
  Sn  Sn3  3  0.0000  0.0000  0.5129  1.0
  I  I4  9  0.0017  0.3291  0.2538  1.0
  I  I5  9  0.0496  0.6994  0.0798  1.0
]