data_[Dy2Al2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.4437]
_cell_length_b [11.1876]
_cell_length_c [6.3788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [DyAlCl6]
_chemical_formula_sum '[Dy2 Al2 Cl12]'
_cell_volume [432.7197]
_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  0.8342  0.0000  1
  Al  Al1  2  0.0000  0.1661  0.0000  1
  Cl  Cl2  4  0.2192  0.1694  0.7732  1
  Cl  Cl3  4  0.2198  0.0178  0.2311  1
  Cl  Cl4  4  0.2286  0.3126  0.2304  1
]