data_[Dy2Ho4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7701]
_cell_length_b [4.9881]
_cell_length_c [7.3409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy(HoHg4)2]
_chemical_formula_sum '[Dy2 Ho4 Hg16]'
_cell_volume [541.6589]
_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  0.5000  0.0000  1.0
  Ho  Ho1  4  0.2168  0.0000  0.6564  1.0
  Hg  Hg2  4  0.0303  0.0000  0.7309  1.0
  Hg  Hg3  4  0.0973  0.5000  0.4557  1.0
  Hg  Hg4  4  0.1495  0.0000  0.1861  1.0
  Hg  Hg5  4  0.1730  0.5000  0.9017  1.0
]