data_[Dy21Sn3I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [15.8456]
_cell_length_b [15.8456]
_cell_length_c [10.4367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy7SnI12]
_chemical_formula_sum '[Dy21 Sn3 I36]'
_cell_volume [2269.4043]
_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  18  0.0487  0.1686  0.8419  1
  Dy  Dy1  3  0.0000  0.0000  0.5000  1
  Sn  Sn2  3  0.0000  0.0000  0.0000  1
  I  I3  18  0.0230  0.5874  0.6657  1
  I  I4  18  0.0519  0.1827  0.3390  1
]