data_[Y3In3Ag6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [R-3]
_cell_length_a [8.0184]
_cell_length_b [8.0184]
_cell_length_c [23.4361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [YIn(AgI3)2]
_chemical_formula_sum '[Y3 In3 Ag6 I18]'
_cell_volume [1304.9514]
_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
[
  Y  Y0  3  -0.0000  0.0000  0.5000  1.0
  In  In1  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  6  0.0000  0.0000  0.2324  1.0
  I  I3  18  0.0014  0.6925  0.4234  1.0
]