data_[Dy3Tl3Ag6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  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 [8.0529]
_cell_length_b [8.0529]
_cell_length_c [23.7359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [DyTl(AgI3)2]
_chemical_formula_sum '[Dy3 Tl3 Ag6 I18]'
_cell_volume [1333.0249]
_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
[
  Dy  Dy0  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  3  -0.0000  0.0000  0.5000  1.0
  Ag  Ag2  6  0.0000  0.0000  0.2687  1.0
  I  I3  18  0.0043  0.3087  0.9243  1.0
]