data_[Dy8Hg2I10]
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 [C2/m]
_cell_length_a [19.0729]
_cell_length_b [4.2271]
_cell_length_c [8.9820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy4HgI5]
_chemical_formula_sum '[Dy8 Hg2 I10]'
_cell_volume [708.5720]
_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  4  0.0010  0.0000  0.2222  1.0
  Dy  Dy1  4  0.1545  0.5000  0.0746  1.0
  Hg  Hg2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1679  0.0000  0.3353  1.0
  I  I4  4  0.1733  0.0000  0.8258  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]