data_[Dy1Hg1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6271]
_cell_length_b [6.7864]
_cell_length_c [6.8503]
_cell_angle_alpha [61.4444]
_cell_angle_beta [89.0280]
_cell_angle_gamma [67.3818]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [DyHgCl6]
_chemical_formula_sum '[Dy1 Hg1 Cl6]'
_cell_volume [244.4495]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  Hg  Hg1  1  0.0000  0.0000  0.0000  1
  Cl  Cl2  2  0.1028  0.1319  0.6292  1
  Cl  Cl3  2  0.2637  0.1904  0.1053  1
  Cl  Cl4  2  0.4497  0.4668  0.3303  1
]