data_[Dy4Al4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8705]
_cell_length_b [6.5903]
_cell_length_c [11.2280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [DyAlHg2]
_chemical_formula_sum '[Dy4 Al4 Hg8]'
_cell_volume [360.3974]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.3339  1
  Dy  Dy1  2  0.5000  0.0000  0.6651  1
  Al  Al2  4  0.0000  0.2227  0.0750  1
  Hg  Hg3  4  0.5000  0.2495  0.4267  1
  Hg  Hg4  2  0.0000  0.0000  0.8302  1
  Hg  Hg5  2  0.5000  0.0000  0.1673  1
]