data_[Dy12Y8Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.9342]
_cell_length_b [18.0511]
_cell_length_c [8.0027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Dy3(YHg2)2]
_chemical_formula_sum '[Dy12 Y8 Hg16]'
_cell_volume [1001.6967]
_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
[
  Y  Y0  8  0.0000  0.0951  0.4128  1
  Dy  Dy1  8  0.2500  0.2381  0.7500  1
  Dy  Dy2  4  0.0000  0.0000  0.0000  1
  Hg  Hg3  8  0.0000  0.1654  0.0347  1
  Hg  Hg4  8  0.2500  0.0672  0.7500  1
]