data_[Dy3Tl6Ga3I18]
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
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.5154]
_cell_length_b [8.5154]
_cell_length_c [21.8344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [DyTl2GaI6]
_chemical_formula_sum '[Dy3 Tl6 Ga3 I18]'
_cell_volume [1371.1568]
_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  0.6754  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4721  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9801  1.0
  Ga  Ga3  3  0.0000  0.0000  0.1809  1.0
  I  I4  9  0.0116  0.4043  0.4196  1.0
  I  I5  9  0.0706  0.7108  0.2572  1.0
]