data_[Li2Ag1I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.5968]
_cell_length_b [4.7132]
_cell_length_c [19.5242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li2AgI3]
_chemical_formula_sum '[Li2 Ag1 I3]'
_cell_volume [699.0706]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.3030  0.0000  0.4864  1
  Li  Li1  1  0.4165  0.5000  0.5998  1
  Ag  Ag2  1  0.8502  0.5000  0.4259  1
  I  I3  1  0.0244  0.0000  0.3969  1
  I  I4  1  0.2670  0.0000  0.6286  1
  I  I5  1  0.4945  0.5000  0.4624  1
]