data_[Dy4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [10.0275]
_cell_length_b [16.5403]
_cell_length_c [18.6509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [DyI5]
_chemical_formula_sum '[Dy4 I20]'
_cell_volume [3093.3906]
_cell_formula_units_Z [4]
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  4  0.0000  0.1721  0.4553  1
  I  I1  8  0.1713  0.1250  0.5766  1
  I  I2  4  0.0000  0.3261  0.5544  1
  I  I3  4  0.2500  0.2500  0.3809  1
  I  I4  2  0.0000  0.0000  0.3869  1
  I  I5  2  0.0000  0.5000  0.5253  1
]