data_[Dy4Ti4Cl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ti  1.5400  1.4000  0.8517
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8415]
_cell_length_b [3.9221]
_cell_length_c [9.9059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyTiClO3]
_chemical_formula_sum '[Dy4 Ti4 Cl4 O12]'
_cell_volume [366.1081]
_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  0.2217  0.0000  0.2049  1.0
  Ti  Ti1  4  0.1187  0.5000  0.4299  1.0
  Cl  Cl2  4  0.1140  0.0000  0.9052  1.0
  O  O3  4  0.0779  0.5000  0.6247  1.0
  O  O4  4  0.1506  0.5000  0.2521  1.0
  O  O5  4  0.1678  0.0000  0.4351  1.0
]