data_[Cs12Li6Dy6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5544]
_cell_length_b [7.5544]
_cell_length_c [37.5378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2LiDyCl6]
_chemical_formula_sum '[Cs12 Li6 Dy6 Cl36]'
_cell_volume [1855.2275]
_cell_formula_units_Z [6]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.1281  1
  Cs  Cs1  6  0.0000  0.0000  0.2896  1
  Li  Li2  3  -0.0000  -0.0000  0.5000  1
  Li  Li3  3  0.0000  0.0000  0.0000  1
  Dy  Dy4  6  0.0000  0.0000  0.4124  1
  Cl  Cl5  18  0.0025  0.5012  0.7071  1
  Cl  Cl6  18  0.0191  0.5095  0.1237  1
]