data_[In6Ag2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.5381]
_cell_length_b [10.6507]
_cell_length_c [6.9428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [In3AgI4]
_chemical_formula_sum '[In6 Ag2 I8]'
_cell_volume [705.3041]
_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
[
  In  In0  4  0.1857  0.3520  0.9292  1.0
  In  In1  2  0.0000  0.0878  0.4276  1.0
  Ag  Ag2  2  0.0000  0.7893  0.0059  1.0
  I  I3  4  0.2359  0.3348  0.4207  1.0
  I  I4  2  0.0000  0.0540  0.9252  1.0
  I  I5  2  0.0000  0.7588  0.4262  1.0
]