data_[Dy4Ni4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4869]
_cell_length_b [3.9229]
_cell_length_c [5.1259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyNiHg]
_chemical_formula_sum '[Dy4 Ni4 Hg4]'
_cell_volume [246.3130]
_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  4  0.1337  0.0000  0.3124  1.0
  Ni  Ni1  4  0.2310  0.0000  0.8561  1.0
  Hg  Hg2  4  0.0772  0.5000  0.7773  1.0
]