data_[Dy4S12Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9154]
_cell_length_b [11.2929]
_cell_length_c [6.6565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyS3Cl]
_chemical_formula_sum '[Dy4 S12 Cl4]'
_cell_volume [608.7521]
_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  0.0000  0.1707  0.0000  1
  S  S1  8  0.1676  0.3180  0.8541  1
  S  S2  4  0.0033  0.5000  0.6488  1
  Cl  Cl3  4  0.0563  0.0000  0.2900  1
]