data_[Dy2Y2Hg12]
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 [Amm2]
_cell_length_a [5.0077]
_cell_length_b [6.7001]
_cell_length_c [11.4875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [DyYHg6]
_chemical_formula_sum '[Dy2 Y2 Hg12]'
_cell_volume [385.4319]
_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  0.0000  0.9108  1.0
  Y  Y1  2  0.5000  0.0000  0.5892  1.0
  Hg  Hg2  4  0.0000  0.2430  0.1658  1.0
  Hg  Hg3  4  0.5000  0.2442  0.3347  1.0
  Hg  Hg4  2  0.0000  0.0000  0.4191  1.0
  Hg  Hg5  2  0.5000  0.0000  0.0802  1.0
]