data_[Dy2Tl6In6I16]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9533]
_cell_length_b [10.0389]
_cell_length_c [9.9529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyTl3In3I8]
_chemical_formula_sum '[Dy2 Tl6 In6 I16]'
_cell_volume [1411.5000]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.2500  0.2500  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.2500  0.2500  0.0000  1.0
  In  In4  2  0.0000  0.5000  0.5000  1.0
  I  I5  8  0.0007  0.2177  0.7167  1.0
  I  I6  4  0.2167  0.0000  0.7183  1.0
  I  I7  4  0.2482  0.5000  0.7522  1.0
]