data_[Dy8Hg8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.5589]
_cell_length_b [13.8211]
_cell_length_c [7.7277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [DyHgI3]
_chemical_formula_sum '[Dy8 Hg8 I24]'
_cell_volume [1875.3832]
_cell_formula_units_Z [8]
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  8  0.0000  0.1691  0.4278  1
  Hg  Hg1  8  0.2500  0.0270  0.7500  1
  I  I2  16  0.1154  0.2165  0.1422  1
  I  I3  8  0.0000  0.0325  0.7399  1
]